2-Chloromandelic Acid Methyl Ester

CAT: 0024-sc-391424Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-391424Size:250 mg

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CAS Number

32345-60-1

Chemical Information

Methyl (S)-o-Chloromandelate

CAS Number	32345-60-1
PubChem CID	11183258
IUPAC Name	methyl (2S)-2-(2-chlorophenyl)-2-hydroxyacetate
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

COC(=O)[C@H](C1=CC=CC=C1Cl)O

InChI

InChI=1S/C9H9ClO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3/t8-/m0/s1

InChIKey

ZMPGBVQQIQSQED-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 32345-60-1

CID: 11183258

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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-505051	(S) -2-Chloromandelic Acid Ethyl Ester
sc-505050	(R) -2-Chloromandelic Acid Ethyl Ester
sc-256116	2-Chloromandelic acid
sc-258063	(R) - (-) -2-Chloromandelic acid
sc-236763	(S) - (+) -2-Chloromandelic acid
sc-266610	3-Chloromandelic acid
sc-236551	(R) - (-) -3-Chloromandelic acid
sc-321791	2-Isocyanooctanoic acid methyl ester
sc-482542	2-Mercaptopropionic Acid Methyl Ester
sc-477905	2-Pentynoic Acid Methyl Ester

Catalog	Name
TRC-C367690-250MG	2-Chloromandelic Acid Methyl Ester
166396	S-2-Chloromandelic Acid Ethyl Ester
166139	(R) -2-Chloromandelic Acid Ethyl Ester
FB37102-01	2-Benzoylbenzoic acid methyl ester
FM11242-01	2-Methylnicotinic acid methyl ester
279560-01	2-Hydroxysuccinic acid methyl ester
419188	2-Tetradecylhexadecanoic Acid Methyl Ester
419123-01	2-Propylhexanoic Acid Methyl Ester
260903-01	2-Aminonicotinic acid methyl ester
159737	2-Oxobutanoic Acid Methyl Ester