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
3.2057 0.6734 1.3137 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7252 -0.6199 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 -0.3848 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8228 -1.1979 -1.1287 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5764 0.7131 0.0459 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 0.9277 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6606 -0.1760 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7329 0.1072 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4055 -0.5901 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 -1.6282 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1120 1.8777 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7436 1.0317 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5070 -1.1989 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9521 1.1145 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 -0.6495 0.8981 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