AG000CPI

116529-62-5 | 4-IODO-2-NITROBENZOIC ACID

AG000CPI

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CAS Number	116529-62-5
Catalog Number	AG000CPI(AGN-PC-0227X7)
Chemical Name	4-IODO-2-NITROBENZOIC ACID
IUPAC Name	4-iodo-2-nitrobenzoic acid
InChI	InChI=1S/C7H4INO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChI Key	IZBFYNYRKIUGSG-UHFFFAOYSA-N
MDL Number	MFCD09909618
Molecular Formula	C7H4INO4
Molecular Weight	293.0154
SMILES	O=C(O)C1=CC=C(I)C=C1[N+]([O-])=O
Synonyms	4-Iodo-2-nitrobenzoic acid, 116529-62-5, 4-IODO-2-NITRO-BENZOIC ACID, 4-iodo-2-nitro benzoic acid, Benzoic acid,4-iodo-2-nitro-, Benzoic acid, 4-iodo-2-nitro-, ACMC-20e88d, SCHEMBL1891804, CTK4A9841, DTXSID60596479, IZBFYNYRKIUGSG-UHFFFAOYSA-N, BCP06689, 2700AA, MFCD09909618, ZINC16698051, AKOS016000924, AJ-69461, AS-37925, AB0076537, RT-009725, FT-0670383, X-1300, C7H4INO4,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.919g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.016g/mol
Monoisotopic Mass	292.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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