Monomers
Allyl chloroacetate
Identifiers
IUPAC name
prop-2-enyl 2-chloroacetate
InchI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InchI Key
VMBJJCDVORDOCF-UHFFFAOYSA-N
SMILES
ClCC(=O)OCC=C
Canonical SMILES
C=CCOC(=O)CCl
Isomeric SMILES
C=CCOC(=O)CCl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
0.9544
H Bond Acceptors
2
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
15 14 0 0 0 0 0 0 0 0999 V2000
2.6343 2.1821 0.4376 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7068 0.4360 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -0.0514 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 0.0301 -1.5421 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 -0.5972 0.5837 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -1.0736 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6041 0.0609 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7258 0.4639 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4381 0.2557 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0658 -0.1073 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7076 -1.8136 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2966 -1.5761 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2175 0.5418 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2877 1.2798 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 -0.0311 1.0968 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
2 9 1 0
2 10 1 0
6 11 1 0
6 12 1 0
7 13 1 0
8 14 1 0
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers