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
3.3381 -1.9821 -0.4899 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -0.6679 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2068 -0.6441 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4586 -1.1426 1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 -0.1108 -0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6710 0.0571 -1.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6023 0.8548 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 0.4883 0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1673 0.2949 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 -0.8022 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2053 -0.8914 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.7052 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1540 1.8775 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5532 0.2088 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9837 1.7544 0.8423 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