AG001YCV

1689-89-0 | Benzonitrile, 4-hydroxy-3-iodo-5-nitro-

AG001YCV

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CAS Number	1689-89-0
Catalog Number	AG001YCV(AGN-PC-0JKCCL)
Chemical Name	Benzonitrile, 4-hydroxy-3-iodo-5-nitro-
EC Number	216-884-8
IUPAC Name	4-hydroxy-3-iodo-5-nitrobenzonitrile
InChI	InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChI Key	SGKGVABHDAQAJO-UHFFFAOYSA-N
MDL Number	MFCD00070776
Molecular Formula	C7H3IN2O3
Molecular Weight	290.0148
SMILES	N(=O)(=O)c1c(O)c(I)cc(c1)C#N
UNII	9L0EXQ7125
Synonyms	Nitroxinil, Nitroxynil, Nitroxynil, Nitroxinil, 1689-89-0, 4-Hydroxy-3-iodo-5-nitrobenzonitrile, Dovenix, Trodax, BENZONITRILE, 4-HYDROXY-3-IODO-5-NITRO-, nitroxinyl, 4-cyano-2-iodo-6-nitrophenol, Nitroxinilum [INN-Latin], Nitroxinilo [INN-Spanish], Nitroxinil [INN], C7H3IN2O3, UNII-9L0EXQ7125, 4-Hydroxy-3-iodo-5-nitro-benzonitrile, CCRIS 5743, EINECS 216-884-8, BRN 2213717, 4-cyano-2-iodo-6-nitro-phenol, SGKGVABHDAQAJO-UHFFFAOYSA-N, 9L0EXQ7125, Nitroxinil (INN), AK-60983, EN300-55806, Q-201481, Nitroxinilo, Nitroxinilum, 4-hydroxy-5-iodo-3-nitrobenzenecarbonitrile, Nitroxinil [INN:BAN], Deldrax (TN), PubChem14408, Trodax [veterynary] (TN), KSC827G3N, MLS006011503, M and B 10755, SCHEMBL166956, 2-Iodo-4-cyano-6-nitrophenol, ZINC1823, CHEMBL2104730, DTXSID9075117, CTK7C7336, AC1L2639, AC1Q7865, ALBB-028654, BCP13892, EBD16820, KS-00000L0W, ZX-AN079468, ANW-54562, MFCD00070776, SBB063548, 3-Iodo-5-nitro-4-hydroxybenzonitrile, 3-Nitro-4-hydroxy-5-iodobenzonitrile, 3-Nitro-5-iodo-4-hydroxybenzonitrile, 4-hydroxy-3-iodo-5-nitro-benzonitril, AKOS000276265, AC-9329, AN-7143, API0003599, AS06855, FCH1323947, KS-1307, MCULE-7913438507, AJ-08098, CC-32902, LS-38721, SC-65081, SMR000797772, SY110145, AB0011342, AX8004102, TC-143307, 4CH-021350, BB 0241976, FT-0633772, ST24043786, ST50484948, MFCD00070776 (95%), A-2089, D08278, J10055, Nitroxinil, VETRANAL(TM), analytical standard, 3-iodanyl-5-nitro-4-oxidanyl-benzenecarbonitrile, 689N890, A811045, SR-01000944912, I01-2083, SR-01000944912-1, BRD-K23850772-001-01-0, Z1250208635, C7-H3-I-N2-O3, Nitroxynil, 97% - 10G 10g, CID15532, CS-W-00104,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.919g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.016g/mol
Monoisotopic Mass	289.919g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number