2,2-Difluoro-3-hydroxypropanoic acid

CAT: 0926-CAA36837-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA36837-01Size:50 mg

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CAS Number

2368-37-8

MDL Number

MFCD05864328

Smiles

C (C (C (=O) O) (F) F) O

Molecular Formula

C3H4F2O3

Molecular Weight

126.06 g/mol

Controlled

Chemical Information

2,2-Difluoro-3-hydroxypropanoic acid

CAS Number	2368-37-8
PubChem CID	21610273
IUPAC Name	2,2-difluoro-3-hydroxypropanoic acid
Molecular Formula	C3H4F2O3
Molecular Weight	126.06
XLogP	-0.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	101

SMILES

C(C(C(=O)O)(F)F)O

InChI

InChI=1S/C3H4F2O3/c4-3(5,1-6)2(7)8/h6H,1H2,(H,7,8)

InChIKey

MBGWRZJHVFZWDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2368-37-8

CID: 21610273

Formula: C3H4F2O3

MW: 126.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.06
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	126.01285031
Monoisotopic Mass	126.01285031
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
WPA96143-01	3,3-Difluoro-2-hydroxypropanoic acid
ABA40054-01	3-Cyclohexyl-2-hydroxypropanoic acid
IFA37331-01	3- (2-Chlorophenyl) -2-hydroxypropanoic acid
ITB31738-01	2- (3-Fluorophenyl) -2-hydroxypropanoic acid
PFA54679-01	3- (3-Chlorophenyl) -2-hydroxypropanoic acid
CAA96795-01	2- (4-Fluorophenyl) -3-hydroxypropanoic acid
ZGA26597-01	(R) -3-Cyclopropyl-2-hydroxypropanoic acid
VCA67146-01	(2S) -2-Bromo-3-hydroxypropanoic acid
GEA11113-01	2- (4-Chlorobenzenesulfonamido) -3-hydroxypropanoic acid
MCA37741-01	(2S) -3-Cyclohexyl-2-hydroxypropanoic acid

Catalog	Name
PC107226	3,3-Difluoro-2-hydroxypropanoic acid
422439-01	3- (2-Chlorophenyl) -2,2-difluoro-3-hydroxypropanoic Acid (Mixture of Diastereomers)
TRC-C380725-5G	3-(2-Chlorophenyl)-2,2-difluoro-3-hydroxypropanoic Acid (Mixture of Diastereomers)
264094-01	3- (Benzyloxy) -2-Hydroxypropanoic acid
OR1010952-01	3-Chloro-2-hydroxypropanoic acid
OR85982-01	3- (2-Bromophenyl) -2-hydroxypropanoic acid
HY-W012966-01	3-Amino-2-hydroxypropanoic acid
OR1058565-01	3-Cyclopropyl-2-hydroxypropanoic acid
OR90750	2- (Benzylamino) -3-hydroxypropanoic acid
OR1052135-01	2-Bromo-3-hydroxypropanoic acid