Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.7067 -0.6640 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 0.1970 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 0.1159 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1225 -0.8550 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4890 -0.8736 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3555 0.0775 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 1.0456 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4662 1.0827 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2001 2.3302 1.7017 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7394 -0.5692 0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4183 -1.4716 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1584 1.0108 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -1.6156 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 -1.6669 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4059 0.0486 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4679 1.8074 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers