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
2.6445 0.6619 1.7986 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8524 -0.3700 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 -0.6516 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4282 -1.3580 -1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.1379 0.2386 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9226 -0.4039 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9249 0.3024 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 1.2303 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 -1.3198 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4340 0.2232 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1056 -1.4964 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9602 -0.0059 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 0.0448 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 1.7877 0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 1.4932 -1.1545 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