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
4.2467 -0.2479 0.5216 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7840 0.7453 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5960 -0.1277 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7575 -1.3796 0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3219 0.3423 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 -0.5803 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0471 0.1572 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 -0.0048 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9674 1.4107 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7034 1.3802 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 -1.3128 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5495 -1.0890 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1588 0.8516 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9964 -0.6850 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 0.5398 0.2468 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