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
2.7828 0.0384 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7596 -0.4179 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3758 -0.1573 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 -1.1173 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9357 -0.9571 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 0.1969 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4505 1.1504 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0741 0.9851 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0099 2.2753 0.8647 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8199 -0.2041 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 0.6635 1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -1.0694 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -2.0319 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6170 -1.7567 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4215 0.3389 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 2.0630 1.1007 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