AG003CEX

26782-75-2 | (S)-()-2-BROMO-3-METHYLBUTYRIC ACID

AG003CEX

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CAS Number	26782-75-2
Catalog Number	AG003CEX(AGN-PC-0O8GAF)
Chemical Name	(S)-()-2-BROMO-3-METHYLBUTYRIC ACID
IUPAC Name	(2S)-2-bromo-3-methylbutanoic acid
InChI	InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
InChI Key	UEBARDWJXBGYEJ-BYPYZUCNSA-N
MDL Number	MFCD00210114
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
SMILES	CC([C@@H](C(O)=O)Br)C
UNII	E1174557W4
Synonyms	26782-75-2, (S)-(-)-2-Bromo-3-methylbutyric acid, (S)-2-BROMO-3-METHYLBUTANOIC ACID, (S)-2-Bromoisovaleric acid, (2S)-2-bromo-3-methylbutanoic acid, (S)-2-Bromo-3-methylbutyric acid, UNII-E1174557W4, Butanoic acid, 2-bromo-3-methyl-, (2S)-, S-2-Bromo-3-methylbutyric acid, S-2-Bromo-3-methyl-butyric acid, (S)-(-)-2-Bromoisovaleric acid, E1174557W4, 2-Bromoisovaleric acid, (-)-, alpha-Bromoisovaleric acid, (S)-, (-)-2-Bromo-3-methylbutyric acid, PubChem13816, alpha-Bromoisovaleric acid (S)-form [MI], (s)-a-bromoisovaleric acid, AC1L45CQ, SCHEMBL1605152, CTK4F8504, UEBARDWJXBGYEJ-BYPYZUCNSA-N, ZINC162626, S-2--Bromo -3-methylbutyric acid, (2S)-2-Bromo-3-methylbutyric acid, CB-792, FC0797, SBB065818, AKOS016845978, (2S)-2-bromo-3-methyl-butanoic acid, FCH1120199, (S)-()-2-Bromo-3-methylbutyric acid, ACM26782752, (2S)-2-bromanyl-3-methyl-butanoic acid, AJ-15922, AN-10773, BC003812, CC-01209, M886, SC-16792, AX8009632, Butanoic acid,2-bromo-3-methyl-, (2S)-, DB-013638, FT-0638637, (S)-(-)-2-BROMO 3-METHYLBUTANOIC ACID, (S)-(-)-2-Bromo-3-methylbutyric acid, 96%, A818601, C-06787, J-016542, UNII-M69LGV465C component UEBARDWJXBGYEJ-BYPYZUCNSA-N, 2-Bromoisovaleric acid, C5H9BrO2, - -2-Bromo-3-methylbutyricacid, CID179487, N/A,

Complexity	90.4
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	1
Isotope Atom Count	0
Molecular Weight	181.029g/mol
Monoisotopic Mass	179.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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