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
4.2302 0.1229 -0.5421 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7914 -0.3109 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6003 -0.0622 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7290 0.3870 -1.5855 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -0.3054 0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 -0.0325 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 -0.3223 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 0.6212 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8472 -1.4160 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7552 0.2421 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6530 -0.6475 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6713 1.0193 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3374 -1.3212 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7681 1.6220 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9508 0.4033 0.3108 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