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
-3.0181 1.8475 -0.7503 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8869 0.2738 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -0.3853 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6144 -1.4257 -0.9447 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 0.0408 0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8293 -0.6275 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9642 0.0744 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9755 0.6057 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0214 0.5051 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7530 -0.3473 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -1.6279 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9235 -0.7827 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9546 0.1537 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1067 0.6030 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7833 1.0925 0.4516 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