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
3.5659 1.1720 1.3901 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7399 0.8863 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6180 -0.0758 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8236 -1.3211 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 0.2714 0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 -0.7309 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9432 -0.0257 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0155 -0.0798 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4295 0.4386 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3766 1.8384 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4740 -1.4539 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8036 -1.2974 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9431 0.5347 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0982 -0.6149 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9115 0.4582 0.3827 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