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
2.7277 -0.1791 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 0.3951 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4081 0.1552 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1574 -0.7033 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5454 -0.9104 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3773 -0.2458 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 0.6135 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4339 0.8156 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2620 1.9160 -2.0512 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4454 -0.8812 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7698 0.0520 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2403 1.1078 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4840 -1.2357 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9537 -1.6060 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 -0.4261 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 1.1324 -1.5460 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