AG005WOH

745048-63-9 | 5-Amino-2-bromo-4-methylbenzoic acid

AG005WOH

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CAS Number	745048-63-9
Catalog Number	AG005WOH(AGN-PC-09QPSS)
Chemical Name	5-Amino-2-bromo-4-methylbenzoic acid
IUPAC Name	5-amino-2-bromo-4-methylbenzoic acid
InChI	InChI=1S/C8H8BrNO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key	WXEDVFCZCKWBCL-UHFFFAOYSA-N
MDL Number	MFCD14706184
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	CC1=CC(Br)=C(C=C1N)C(O)=O
Synonyms	5-amino-2-bromo-4-methylbenzoic acid, 745048-63-9, SCHEMBL3686898, CTK5D9977, KS-00000CZM, DTXSID60693452, WXEDVFCZCKWBCL-UHFFFAOYSA-N, 1570AC, ANW-66177, MFCD14706184, ZINC71864154, 5-Amino-2-bromo-4-methylbenzoicAcid, AKOS016004619, 3-Amino-6-bromo-4-methylbenzoic Acid, QC-9694, AC-29533, AK-80930, DS-16070, SY035250, AJ-118887, DB-058126, TX-013232, FT-0722294, MFCD14706184 (95%), Z2065788426, C8H8BrNO2,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number