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
-1.2728 1.5581 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 0.3207 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6192 -0.3415 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6697 0.4293 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7147 -1.8136 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 -0.4822 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0592 0.0831 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 -0.7269 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4083 -0.2438 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 1.0104 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5089 1.7888 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 1.3087 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3611 1.6475 -0.9402 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 1.4874 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 -0.0672 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7718 -2.1347 0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 -2.1567 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -2.2710 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2803 -1.5445 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 -1.7162 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2637 -0.8746 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6128 2.7844 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3889 1.9545 -1.0462 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