AG00C77B

38876-67-4 | 2-Bromo-6-nitrobenzoic acid

AG00C77B

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CAS Number	38876-67-4
Catalog Number	AG00C77B(AGN-PC-00MXTD)
Chemical Name	2-Bromo-6-nitrobenzoic acid
IUPAC Name	2-bromo-6-nitrobenzoic acid
InChI	InChI=1S/C7H4BrNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key	KWNBOCMNFKJJCK-UHFFFAOYSA-N
MDL Number	MFCD13688997
Molecular Formula	C7H4BrNO4
Molecular Weight	246.0150
SMILES	BrC1=C(C(=O)O)C(=CC=C1)[N+](=O)[O-]
Synonyms	2-BROMO-6-NITROBENZOIC ACID, 38876-67-4, Benzoic acid, 2-bromo-6-nitro-, 2-bromo-6-nitrobenzoicacid, PubChem18560, SCHEMBL1716919, Benzoic acid,2-bromo-6-nitro-, 2-bromanyl-6-nitro-benzoic acid, CTK4I0606, DTXSID90543118, KWNBOCMNFKJJCK-UHFFFAOYSA-N, KS-00000IE6, ANW-51792, MFCD13688997, ZINC34080222, AKOS015834816, CB-2170, CS-W006053, GS-4436, RP28719, AJ-86833, AK-38224, BC004383, BR-38224, SC-27252, SY042950, AB0033965, DB-069739, TR-036679, 4CH-004046, AM20040347, FT-0747752, ST24027867, X8042, MFCD13688997 (95%), S-3901, 876B674, A824316, J-508490, C7H4BrNO4,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.932g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.016g/mol
Monoisotopic Mass	244.932g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number