Monomers
3-Chloro-2-chloromethyl-1-propene
Identifiers
IUPAC name
3-chloro-2-(chloromethyl)prop-1-ene
InchI
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InchI Key
XJFZOSUFGSANIF-UHFFFAOYSA-N
SMILES
ClCC(=C)CCl
Canonical SMILES
C=C(CCl)CCl
Isomeric SMILES
C=C(CCl)CCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6Cl2
Heavy Atom Count
6
Molecular Weight
124.998
Exact Molecular Weight
123.9847
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.0202
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
-1.4963 -0.7696 1.9306 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4361 -0.0877 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0002 0.1243 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 1.3553 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9890 -0.9655 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 -0.2640 -0.5470 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9804 0.8674 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 -0.8146 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 1.5199 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 2.2148 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0793 -1.4919 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 -1.6883 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 1 0
2 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers