Monomers

N-(4-Bromophenyl)methacrylamide

Identifiers

IUPAC name
N-(4-bromophenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H10BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3,(H,12,13)
InchI Key
SLCQGECCJKYUCZ-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)Br
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10BrNO
Heavy Atom Count
13
Molecular Weight
240.1
Exact Molecular Weight
238.9946
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.9637
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.7902    1.9544    0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.7960   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.6341   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    1.6677   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -0.7289   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762   -0.3210   -0.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388   -0.2690   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052    0.8471   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056    0.8032   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8767   -0.3663    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1275   -1.5092    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -1.4582    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7919   -0.4433    0.1635 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0597    2.6556    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    1.4913   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235   -1.1776    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063   -0.6526   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377   -1.3741   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -1.2693   -0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    1.8041   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.7297   -0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504   -2.4586    0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588   -2.3552    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers