AG001RLR

160003-66-7 | Benzamide, 4-iodo-3-nitro-

AG001RLR

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CAS Number	160003-66-7
Catalog Number	AG001RLR(AGN-PC-0JGQ7M)
Chemical Name	Benzamide, 4-iodo-3-nitro-
IUPAC Name	4-iodo-3-nitrobenzamide
InChI	InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChI Key	MDOJTZQKHMAPBK-UHFFFAOYSA-N
MDL Number	MFCD11110639
Molecular Formula	C7H5IN2O3
Molecular Weight	292.0307
SMILES	IC1=C(C=C(C(=O)N)C=C1)[N+](=O)[O-]
UNII	2ZWI7KHK8F
Synonyms	4-iodo-3-nitrobenzamide, BSI 201, BSI-201, BSI201, iniparib, 4-Iodo-3-nitrobenzamide, Iniparib, 160003-66-7, BSI-201, Iniparib (BSI-201), 4-iodo-3-nitro-benzamide, BSI 201, IND-71677, SAR240550, BSI201, UNII-2ZWI7KHK8F, Benzamide, 4-iodo-3-nitro-, NSC-746045, 2ZWI7KHK8F, AK-32165, NIBA, INO2BA, Iniparib [USAN:INN], 4tki, SAR-240550, PubChem16931, BSI-201/Iniparib/, Iniparib (USAN/INN), BSI-201 - Iniparib, 4-iodo-5-nitro-benzamide, Intermediates-ZCF02207, 4-Iodo-3-Nitro Benzamide, C7H5IN2O3, MLS006010066, SCHEMBL242006, BIFK0012, GTPL8360, CHEMBL1170047, SCHEMBL15427439, CHEBI:95067, CTK4D0289, KS-00000HQP, AOB6726, DTXSID30166784, MDOJTZQKHMAPBK-UHFFFAOYSA-N, ZX-AFC000691, BCPP000313, HMS3654K17, ACT06800, BCP01784, ABP000421, ANW-51077, BN0861, MFCD11110639, s1087, ZINC33963533, AKOS015853763, AKOS032949733, AN-5099, API0007594, AS05898, BCP9000455, CM13181, CS-0145, FCH1325377, GS-4311, LS10089, QC-4931, RL02053, NCGC00263096-01, 4CA-0647, AC-26931, AJ-86506, AM803278, BC274728, BR-32165, CJ-18131, EN002691, HY-12015, SMR004701226, AB0021197, AB1008068, AX8160379, DB-064321, ST2411482, TR-035837, FT-0670350, SW218112-2, V2440, EC-000.2329, D09913, S-4540, J-515558, BRD-K11153516-001-01-4, NSC-746045, IND-71677, BSI201, BSI-201, 160003-66-7, 33E, null, Iniparib [USAN], D0IK5F, cc-485, CID9796068, A4157, A10164, A11680, C090712, Iniparib, NSC-746045, IND-71677, BSI201, BSI-201,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.934g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.032g/mol
Monoisotopic Mass	291.934g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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