Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=C1)Cl
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
2.8026 0.4494 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9070 -0.4542 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4673 -0.2539 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 0.9113 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4003 1.1232 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2852 0.1296 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 -1.0621 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4490 -1.2344 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0010 0.3532 0.6619 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 1.4175 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8551 0.2500 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2403 -1.4033 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6029 1.7316 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 2.0442 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5388 -1.8198 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1461 -2.1823 -0.7334 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers