AG002FTJ

19230-50-3 | Benzoic acid, 2-​iodo-​5-​nitro-

AG002FTJ

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CAS Number	19230-50-3
Catalog Number	AG002FTJ(AGN-PC-0L0XUK)
Chemical Name	Benzoic acid, 2-​iodo-​5-​nitro-
IUPAC Name	2-iodo-5-nitrobenzoic acid
InChI	InChI=1S/C7H4INO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key	JSSFIFUXHORXJX-UHFFFAOYSA-N
MDL Number	MFCD00234256
Molecular Formula	C7H4INO4
Molecular Weight	293.0154
SMILES	C(=O)(O)c1cc(N(=O)=O)ccc1I
Synonyms	2-Iodo-5-nitrobenzoic acid, 19230-50-3, Benzoic acid, 2-iodo-5-nitro-, 2-iodo-5-nitro-benzoic acid, AC1MZIV5, 5-nitro-2-iodobenzoic acid, 2-iodo-5-nitro benzoic acid, AC-907/25004610, AC1Q72C6, Benzoic acid,2-iodo-5-nitro-, SCHEMBL3550116, CTK4E0969, DTXSID10397276, JSSFIFUXHORXJX-UHFFFAOYSA-N, KS-00000N3E, ZINC2559907, ANW-46049, MFCD00234256, SBB062750, TD1238, AKOS000149229, MCULE-4682687610, NE11421, AC-28700, AJ-40393, AK-81421, DS-16219, SC-86185, ST2416988, TX-010112, 4CH-000818, CS-0041122, FT-0687134, X8087, EN300-39535, J-012426, Z398513662, C7H4INO4, CID3848745,

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	1.9

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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