(S) - (+) -2-Chloromandelic acid

CAT: 0024-sc-236763Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-236763Size:500 mg

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CAS Number

52950-19-3

Chemical Information

(S)-2-Chloromandelic acid

CAS Number	52950-19-3
PubChem CID	6922874
IUPAC Name	(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
XLogP	1.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

C1=CC=C(C(=C1)[C@@H](C(=O)O)O)Cl

InChI

InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1

InChIKey

RWOLDZZTBNYTMS-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 52950-19-3

CID: 6922874

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-256116	2-Chloromandelic acid
sc-258063	(R) - (-) -2-Chloromandelic acid
sc-266610	3-Chloromandelic acid
sc-391424	2-Chloromandelic Acid Methyl Ester
sc-505050	(R) -2-Chloromandelic Acid Ethyl Ester
sc-236551	(R) - (-) -3-Chloromandelic acid
sc-208334	(S) - (-) -2-Methoxypropionic Acid
sc-481839	(S) -2-Benzylsuccinic acid
sc-253496	(S) - (+) -2-Phenylbutyric acid
sc-503833	(S) -2-Bromobutyric Acid