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
-1.0763 -1.7579 0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3379 -0.6046 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7578 -0.2048 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6953 -1.0735 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1182 1.1895 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3061 0.3083 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 0.0942 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -1.0855 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0615 -1.2459 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8934 -0.2053 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3112 0.9997 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9438 1.1437 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8048 -0.3984 -0.1124 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 -2.0863 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7247 -0.8032 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 1.9087 0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0058 1.3721 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1609 1.3979 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6676 1.2802 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0997 -1.9409 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4876 -2.2198 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 1.8341 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 2.0977 -0.7379 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