AG00G8AJ

7691-28-3 | (S)-methyl-2-bromo-3-hydroxypropanoate

AG00G8AJ

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CAS Number	7691-28-3
Catalog Number	AG00G8AJ(AGN-PC-00IVK9)
Chemical Name	(S)-methyl-2-bromo-3-hydroxypropanoate
IUPAC Name	methyl 2-bromo-3-hydroxypropanoate
InChI	InChI=1S/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
InChI Key	GVXAFLUDYYQGCG-UHFFFAOYSA-N
MDL Number	MFCD20486781
Molecular Formula	C4H7BrO3
Molecular Weight	183.0006
SMILES	BrC(C(=O)OC)CO
Synonyms	Methyl 2-bromo-3-hydroxypropanoate, 7691-28-3, methyl 2-bromo-3-hydroxypropionate, Propanoic acid, 2-bromo-3-hydroxy-, methyl ester, methyl (+/-)-2-bromo-3-hydroxypropanoate, methyl-2-bromo-3-hydroxypropanoate, SCHEMBL343725, DTXSID10474879, GVXAFLUDYYQGCG-UHFFFAOYSA-N, methyl 2-bromo-3-hydroxy-propionate, MFCD20486781, AKOS017529140, DS-6537, (S)-methyl-2-bromo-3-hydroxypropanoate, AK142725, DB-075208, 2-Bromo-3-hydroxypropionic acid methyl ester, FT-0660491, Methyl 2-bromo-3-hydroxy-propanoate, CID11964350,

Complexity	83.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.958g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.001g/mol
Monoisotopic Mass	181.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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