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
2.3716 0.3965 1.9806 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9392 -1.2774 1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7280 -1.3185 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3039 -2.4465 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 -0.1419 0.3456 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0006 -0.1757 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 1.1600 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9843 2.2765 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 -1.9022 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7590 -1.7479 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8161 -0.7667 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 -0.7635 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 1.2032 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 2.2606 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3979 3.2433 -0.5906 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