2-Chloromandelic Acid Methyl Ester

CAT: 0572-TRC-C367690-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C367690-500MGSize:500 mg

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CAS Number

32345-60-1

Synonyms

Methyl (S)-o-Chloromandelate; (S)-Methyl 2-hydroxy-2-(2-chlorophenyl)acetate; (S)-(-)-Methyl 2-(2-Chlorophenyl)-2-hydroxyacetate; (alphaS)-2-Chloro-alpha-hydroxy-benzeneacetic Acid Methyl Ester;

Hazard Statement

No Data Available

Smiles

COC(=O)C(O)c1ccccc1Cl

Molecular Formula

C9H9ClO3

Molecular Weight

200.62

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

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

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View on PubChem Raw 3D data

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

Related Products

Catalog	Name
TRC-C432673-25G	2-Chloromandelic acid
TRC-C432673-5G	2-Chloromandelic acid
TRC-C432673-50G	2-Chloromandelic acid
TRC-C367685-1G	(R)-(-)-2-Chloromandelic Acid
TRC-C432670-2G	(S)-2-Chloromandelic Acid
TRC-C432670-1G	(S)-2-Chloromandelic Acid
TRC-C367685-500MG	(R)-(-)-2-Chloromandelic Acid
TRC-C367685-5G	(R)-(-)-2-Chloromandelic Acid
TRC-C432670-500MG	(S)-2-Chloromandelic Acid
TRC-C427785-1G	(R)-(-)-3-Chloromandelic Acid

Alternative Products

Catalog	Name
sc-391424	2-Chloromandelic Acid Methyl Ester
166396	S-2-Chloromandelic Acid Ethyl Ester
sc-505051	(S) -2-Chloromandelic Acid Ethyl Ester
sc-505050	(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

2-Chloromandelic Acid Methyl Ester

Chemical Information

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