methyl 2-chloropropionate - PubChem Public Chemical Database

methyl 2-chloropropionate - Compound Summary (CID 149593)

used in pesticide synthesis

Table of Contents

Drug and Chemical Information

Drug and Chemical Information: (Total:1)

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

Properties Computed from Structure:

Molecular Weight	122.55018 [g/mol]
Molecular Formula	C₄H₇ClO₂
XLogP3-AA	1.1
H-Bond Donor	0
H-Bond Acceptor	2
Rotatable Bond Count	2
Exact Mass	122.013457
MonoIsotopic Mass	122.013457
Topological Polar Surface Area	26.3
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: methyl (2R)-2-chloropropanoate
Canonical SMILES: CC(C(=O)OC)Cl
Isomeric SMILES: C[C@H](C(=O)OC)Cl
InChI: InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m1/s1

InChIKey: JLEJCNOTNLZCHQ-GSVOUGTGSA-N

Compound Information:

CID 149593

Create Date: 2005-08-09

Related Compounds:

Same, Connectivity: 3 Links

Similar Compounds: 12 Links

Similar Conformers: 703 Links View Conformers