Methyl (2r) -2- (2-fluorophenyl) -2-hydroxyacetate

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CAS Number

32174-36-0

MDL Number

MFCD24444384

Purity

95%

Smiles

COC(=O)[C@H](O)c1ccccc1F

Chemical Information

Methyl (2R)-2-(2-fluorophenyl)-2-hydroxyacetate

CAS Number	32174-36-0
PubChem CID	45114286
IUPAC Name	methyl (2R)-2-(2-fluorophenyl)-2-hydroxyacetate
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

COC(=O)[C@@H](C1=CC=CC=C1F)O

InChI

InChI=1S/C9H9FO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3/t8-/m1/s1

InChIKey

JLRHGNPNLVZNCD-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 32174-36-0

CID: 45114286

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
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

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