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
2.8207 1.6063 1.0320 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 0.4267 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5019 -0.4444 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 -1.6555 0.2468 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1937 0.0522 -0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -0.8575 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1928 -0.2055 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 1.0470 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5762 -0.2632 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7057 0.8826 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7427 -1.7778 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 -1.1956 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 -0.8184 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 1.7819 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3999 1.4212 -0.6453 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