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
2.3733 -0.6787 -0.6683 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2853 0.0505 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0964 0.1945 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6632 1.3698 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 -1.0618 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4299 -0.7796 -0.9581 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3280 -0.6132 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7212 1.0202 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1277 2.2458 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6841 1.5379 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7633 -1.7288 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1409 -1.5566 -1.1276 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