AG003RJ5

98190-85-3 | Methyl (2S)-3-bromo-2-methyl-propanoate

AG003RJ5

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CAS Number	98190-85-3
Catalog Number	AG003RJ5(AGN-PC-0OOTYW)
Chemical Name	Methyl (2S)-3-bromo-2-methyl-propanoate
IUPAC Name	methyl (2S)-3-bromo-2-methylpropanoate
InChI	InChI=1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1
InChI Key	FKWNAVCXZSQYTA-SCSAIBSYSA-N
MDL Number	MFCD00064487
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
SMILES	COC(=O)[C@H](C)CBr
Synonyms	98190-85-3, (S)-(-)-3-Bromoisobutyric Acid Methyl Ester, Methyl (S)-(-)-3-Bromoisobutyrate, (-)-Methyl (S)-3-bromo-2-methylpropionate, Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-, methyl (2S)-3-bromo-2-methylpropanoate, (-)-Methyl (S)-3-bro mo-2-methylpropionate, Methyl 3-bromo-2-methylpropanoate #, AC1NUHSN, (S)-3-Bromo-2-methyl-propionic acid methyl ester, AC1Q41I4, SCHEMBL2534589, BDBM36060, CTK5H9756, DTXSID70420478, FKWNAVCXZSQYTA-SCSAIBSYSA-N, ZINC2597081, ANW-40912, MFCD00064487, (-)-Methyl (S)-|A-bromoisobutyrate, AKOS015833847, AKOS015894023, (S)-methyl 3-bromo-2-methylpropanoate, FCH3464490, SC-08854, (-)-Methyl(S)-3-bromo-2-methylpropionate, DB-057715, TR-030297, (S)-(-)-Methyl 3-bromo-2-methylpropionate, FT-0642361, Methyl (S)-(-)-3-bromo-2-methyl-propionate, Methyl (S)-(-)-3-Bromo-2-methylpropionate, (S)-2-Methyl-3-bromopropionic acid methyl ester, (S)-3-bromo-2-methylpropionic acid methyl ester, C-25484, (-)-Methyl (S)-3-bromo-2-methylpropionate, 97%, (S)-(-)-METHYL-3-BROMO-2-METHYLPROPIONATE, I04-8333, (S)-(-)-3-Bromo-2-methylpropionic Acid Methyl Ester, Propanoic acid,3-bromo-2-methyl-,methyl ester,(2S)-, Propanoic acid,3-bromo-2-methyl-, methyl ester, (2S)-, Methyl 3-bromo-2-methylpropanoate, ACN-046349, CID5479124, - -3-BROMOISOBUTYRICACIDMETHYLESTER, B2140,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	179.979g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.029g/mol
Monoisotopic Mass	179.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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