Monomers
1-(Chloromethyl)-4-vinylbenzene
Identifiers
IUPAC name
1-(chloromethyl)-4-ethenylbenzene
InchI
InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InchI Key
ZRZHXNCATOYMJH-UHFFFAOYSA-N
SMILES
ClCc1ccc(cc1)C=C
Canonical SMILES
C=CC1=CC=C(C=C1)CCl
Isomeric SMILES
C=CC1=CC=C(C=C1)CCl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H9Cl
Heavy Atom Count
10
Molecular Weight
152.624
Exact Molecular Weight
152.0393
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0684
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
19 19 0 0 0 0 0 0 0 0999 V2000
-3.5930 0.3542 -1.8298 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0919 0.4784 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6552 0.1361 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 -1.1404 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1790 -1.4063 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0847 -0.3595 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 0.9202 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7470 1.1592 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 -0.6454 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4718 0.2111 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7312 -0.2464 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2266 1.5159 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8946 -1.9310 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5565 -2.4086 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3177 1.7166 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 2.1841 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7857 -1.6894 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2373 1.2497 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5012 -0.0985 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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
9 10 2 3
8 3 1 0
2 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
10 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers