AG00EKZ1

58580-09-9 | 2,3-Diamino-5-bromobenzoic acid dihydrochloride

AG00EKZ1

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CAS Number	58580-09-9
Catalog Number	AG00EKZ1(AGN-PC-0WAIUR)
Chemical Name	2,3-Diamino-5-bromobenzoic acid dihydrochloride
IUPAC Name	2,3-diamino-5-bromobenzoic acid;dihydrochloride
InChI	InChI=1S/C7H7BrN2O2.2ClH/c8-3-1-4(7(11)12)6(10)5(9)2-3;;/h1-2H,9-10H2,(H,11,12);2*1H
InChI Key	OJPFJANHNZVEIL-UHFFFAOYSA-N
MDL Number	MFCD27978533
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	O=C(O)C=1C=C(Br)C=C(N)C1N
Synonyms	2,3-Diamino-5-bromobenzoic acid dihydrochloride, 58580-09-9, 2,3-Diamino-5-bromobenzoic acid 2HCl, MFCD27978533, AKOS024464239, AK162708, AX8294755, EN300-203992, 2,3-diamino-5-bromobenzoic acid,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.922g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	303.965g/mol
Monoisotopic Mass	301.922g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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