(R) -2-Chloromandelic acid

CAT: 0926-FC03642Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FC03642Size:100 g

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CAS Number

52950-18-2

MDL Number

MFCD00798429

Smiles

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

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 g/mol

Controlled

Chemical Information

(-)-2-Chloromandelic acid

See also: (2R)-(2-chlorophenyl)(hydroxy)ethanoic acid (annotation moved to); (2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid (annotation moved to).

CAS Number	52950-18-2
PubChem CID	2733641
IUPAC Name	(2R)-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-/m1/s1

InChIKey

RWOLDZZTBNYTMS-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 52950-18-2

CID: 2733641

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
FC00498-01	2-Chloromandelic acid
FC36579-01	4-Chloromandelic acid
FC20696	(R, R) -1,2-Cyclohexanedicarboxylic acid
TBA20107	(R) -2-Hydroxyhexanoic acid
FM60119	(R) - (-) -2-Methylglutaric Acid
FM25798-01	(R) -2-Methylbutyric acid
BAA12946-01	(R) -2-PHENOXYPROPIONIC ACID
FM25346-01	(R) - (+) -2-Methoxypropionic acid
HFA12560-01	[R- (R, R) ]- (1,2-Dihydroxypropyl) phosphonic acid
DAA97241-01	(R) -2-Bromosuccinic acid