AG0039T7

42990-24-9 | 2-Bromo-4-methylpentanoic acid

AG0039T7

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CAS Number	42990-24-9
Catalog Number	AG0039T7(AGN-PC-0JMSSA)
Chemical Name	2-Bromo-4-methylpentanoic acid
IUPAC Name	2-bromo-4-methylpentanoic acid
InChI	InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChI Key	NNFDHJQLIFECSR-UHFFFAOYSA-N
MDL Number	MFCD00039606
Molecular Formula	C6H11BrO2
Molecular Weight	195.0543
SMILES	BrC(C(=O)O)CC(C)C
Synonyms	2-bromo-4-methylpentanoic acid, 42990-24-9, Valeric acid, 2-bromo-4-methyl-,, 49628-52-6, Pentanoic acid, 2-bromo-4-methyl-, 2-bromo-4-methyl-pentanoic acid, (S)-2-bromo-4-methylpentanoic acid, Bromisocapronsaure, 2-bromoisocaproic acid, AC1L3LMF, alpha-bromoisocaproic acid, SCHEMBL489804, 2-bromo-4-methyl-valeric acid, dl-.alpha.-Bromoisocaproic acid, CTK5I5751, NNFDHJQLIFECSR-UHFFFAOYSA-N, 2-bromanyl-4-methyl-pentanoic acid, KS-00000OP3, ANW-48841, EBD118384, MFCD00039606, (2s)-2-bromo-4-methylpentanoic acid, AKOS006275075, CS-W021616, DS-1549, WT82170, 2-BROMO-4-METHYL PENTANOIC ACID, AK-42547, AK549141, BR-42547, AB0029917, TC-137586, 4CH-010408, FT-0655379, FT-0710746, ST24022061, X2075, S-4783, A827778, S04-0143, alfa-Bromoisovalericacid, C6H11BrO2, CID142681, 28659-87-2,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.994g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.056g/mol
Monoisotopic Mass	193.994g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number