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
    3.5730    1.6945    1.0727 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1080    0.2182    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    0.1304    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443    0.6633   -1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065    0.5858   -1.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -0.0193   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5461   -0.5481    0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4741    1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660   -0.0748   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -0.6238    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    0.2675   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -0.7017    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    1.1416   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874    1.0097   -2.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230   -1.0416    1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -0.8793    1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701    0.3660   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0399   -1.0706    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4381   -0.6437    0.1465 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