AG00C0JI

4123-72-2 | 4-Amino-3,5-dibromobenzoic acid

AG00C0JI

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CAS Number	4123-72-2
Catalog Number	AG00C0JI(AGN-PC-00IRW4)
Chemical Name	4-Amino-3,5-dibromobenzoic acid
IUPAC Name	4-amino-3,5-dibromobenzoic acid
InChI	InChI=1S/C7H5Br2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key	VWYQFZKTKAMCLU-UHFFFAOYSA-N
MDL Number	MFCD00075845
Molecular Formula	C7H5Br2NO2
Molecular Weight	294.9281
SMILES	C(=O)(O)c1cc(Br)c(c(c1)Br)N
Synonyms	4-amino-3,5-dibromobenzoic acid, 4123-72-2, Benzoic acid, 4-amino-3,5-dibromo-, PubChem22563, AE-641/00784039, SCHEMBL865991, 3,5-dibromo-p-aminobenzoic acid, CTK4I4492, 3,5-dibromo-4-aminobenzoic acid, DTXSID00474767, BUTTPARK 35\03-07, VWYQFZKTKAMCLU-UHFFFAOYSA-N, 4-Amino-3,5-dibromo-benzoic acid, ACT00361, KS-00000L8K, ZINC2545431, ANW-47453, Benzoic acid,4-amino-3,5-dibromo-, MFCD00075845, AKOS015919572, CM12367, DS-1640, MCULE-8853112184, VZ28215, AC-23738, AJ-39322, AK-35094, BC004798, BR-35094, SC-17798, SY033641, AB0024824, DB-006633, ST2418084, TC-030402, TL8007344, 4CH-014099, AM20080737, FT-0080187, FT-0602726, W6170, MFCD00075845 (95%), A20124, S-3394, 123A722, Z1741978079, C7H5Br2NO2, (R)-Piperazine-2-carboxylic acid, CID11959049, 31321-68-3,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.867g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	294.93g/mol
Monoisotopic Mass	292.869g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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