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
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
0.7886 1.1363 1.0339 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.3982 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6940 0.3019 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2062 -0.4473 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5912 1.0969 0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3141 -0.3141 -0.6782 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1002 -0.3231 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8378 -1.3030 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1992 -1.3065 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8934 -0.3342 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1813 0.6335 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8004 0.6206 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7839 -0.3265 -0.3901 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2898 -0.4781 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6701 -1.0610 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5266 1.3634 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 0.5088 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0639 2.0479 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7090 -0.9339 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 -2.0526 -1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7694 -2.0701 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7172 1.4050 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2970 1.4380 0.6301 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