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
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
3.7840 0.8360 1.5302 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1292 -0.1471 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6453 -0.1178 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9597 -1.0660 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4227 -1.0545 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1575 -0.1406 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 0.8072 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9267 0.8107 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 -0.1890 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3761 0.6506 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 0.2130 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4764 -1.1885 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5101 -1.8013 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 -1.8079 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9675 1.5616 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 1.5540 -1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1189 -0.9674 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9877 1.4542 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4577 0.5928 -0.4643 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