(2S) -2-Bromo-3-hydroxypropanoic acid

CAT: 0926-VCA67146-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-VCA67146-01Size:0.5 g

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CAS Number

70671-46-4

MDL Number

MFCD09751078

Smiles

C (C (C (=O) O) Br) O

Molecular Formula

C3H5BrO3

Molecular Weight

168.97 g/mol

Controlled

Chemical Information

(2S)-2-Bromo-3-hydroxypropanoic acid

CAS Number	70671-46-4
PubChem CID	13776210
IUPAC Name	(2S)-2-bromo-3-hydroxypropanoic acid
Molecular Formula	C3H5BrO3
Molecular Weight	168.97
XLogP	-0.1
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	72

SMILES

C([C@@H](C(=O)O)Br)O

InChI

InChI=1S/C3H5BrO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/t2-/m0/s1

InChIKey

OIODSHQRJGRDLE-REOHCLBHSA-N

Chemical Structure

2D Structure

CAS: 70671-46-4

CID: 13776210

Formula: C3H5BrO3

MW: 168.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.97
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	167.94221
Monoisotopic Mass	167.94221
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.6
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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