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
-2.8007 -0.2821 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 -0.8267 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3456 -0.2855 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 -1.1745 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0323 -0.7480 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3057 0.5972 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2912 1.5187 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 1.0383 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 2.2477 -0.1230 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9369 0.6707 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7683 -0.7799 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.8184 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4948 -2.2394 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8456 -1.4571 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3255 0.9574 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4802 2.5816 0.2431 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