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
cid=

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
    3.8984    0.5363   -0.9385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1187   -0.1202    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -0.0882    0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117   -1.1827   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605   -1.2042   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -0.1256    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    0.9546    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965    0.9822    0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730   -0.2533    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837    0.7002    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717    0.3977    1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -1.1760    0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460   -2.0557   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522   -2.0739   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0774    1.7941    1.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    1.8443    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -1.1588   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0126    1.6006    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628    0.6289    0.2664 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