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
-2.7588 0.3187 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8170 -0.3458 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -0.1593 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4320 -1.2543 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8024 -1.1426 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3913 0.0464 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5971 1.1153 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1912 1.0070 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7446 2.4262 0.6086 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8001 0.0219 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6694 1.1187 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 -1.1506 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0370 -2.1951 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4582 -1.9832 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 0.1309 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0287 2.0459 0.5949 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