3- (2,5-Difluorophenyl) -3-hydroxypropanoic acid

CAT: 0127-PC1009707-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1009707-01Size:250 mg

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CAS Number

1249279-05-7

MDL Number

MFCD16749158

Purity

97%

Smiles

C1 (cc (ccc1F) F) C (O) CC (=O) O

Chemical Information

3-(2,5-Difluorophenyl)-3-hydroxypropanoic acid

CAS Number	1249279-05-7
PubChem CID	62395649
IUPAC Name	3-(2,5-difluorophenyl)-3-hydroxypropanoic acid
Molecular Formula	C9H8F2O3
Molecular Weight	202.15
XLogP	0.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	210

SMILES

C1=CC(=C(C=C1F)C(CC(=O)O)O)F

InChI

InChI=1S/C9H8F2O3/c10-5-1-2-7(11)6(3-5)8(12)4-9(13)14/h1-3,8,12H,4H2,(H,13,14)

InChIKey

BSFANKNLSRQDBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249279-05-7

CID: 62395649

Formula: C9H8F2O3

MW: 202.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.15
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	202.04415044
Monoisotopic Mass	202.04415044
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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