AG0033M0

56970-78-6 | 3-Bromo-2-methylpropanoic acid

AG0033M0

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CAS Number	56970-78-6
Catalog Number	AG0033M0(AGN-PC-0JE15R)
Chemical Name	3-Bromo-2-methylpropanoic acid
IUPAC Name	3-bromo-2-methylpropanoic acid
InChI	InChI=1S/C4H7BrO2/c1-3(2-5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChI Key	BUPXDXGYFXDDAA-UHFFFAOYSA-N
MDL Number	MFCD01310530
Molecular Formula	C4H7BrO2
Molecular Weight	167.0012
NSC Number	201472
SMILES	BrCC(C(=O)O)C
Synonyms	3-bromo-2-methylpropanoic acid, 56970-78-6, 3-Bromoisobutyric Acid, 3-Bromo-2-methylpropionic Acid, NSC201472, Propanoic acid, 3-bromo-2-methyl-, 2-methyl-3-bromopropionic acid, Propanoic acid, 3-bromo-2-methyl-, (R)-, ACMC-209lva, ACMC-20ll7k, Captopril EP Impurity D, AC1L75PJ, 3-bromo-2-methylpropanoicacid, SCHEMBL348640, 3-bromo-2-methyl-propanoic acid, CTK8B1927, BUPXDXGYFXDDAA-UHFFFAOYSA-N, 89361-97-7, KS-000001QJ, ANW-32612, MFCD01310530, 3-BROMO-2-METHYLPROPIONICACID, AKOS006346217, NSC-201472, TRA0041130, (2RS)-3-Bromo-2-methyl-propanoic Acid, AK116257, AN-40075, AS-10606, SC-53016, TC-121357, B2571, FT-0612936, ST24041856, I14-63094, UNII-07304AI75I, CID304776, 07304AI75I,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.963g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.002g/mol
Monoisotopic Mass	165.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H290-H302-H314-H332-H341
Precuationary statements	P201-P260-P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

Lot Number