AG001ZIR

17420-30-3 | Benzonitrile, 2-amino-5-nitro-

AG001ZIR

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CAS Number	17420-30-3
Catalog Number	AG001ZIR(AGN-PC-0JKK4Q)
Chemical Name	Benzonitrile, 2-amino-5-nitro-
EC Number	241-446-8
IUPAC Name	2-amino-5-nitrobenzonitrile
InChI	InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChI Key	MGCGMYPNXAFGFA-UHFFFAOYSA-N
MDL Number	MFCD22631666
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	NC1=CC=C(C=C1C#N)N(=O)=O
UNII	SEZ79WRA1J
Synonyms	2-Amino-5-nitrobenzonitrile, 5-Nitroanthranilonitrile, 17420-30-3, 2-Cyano-4-nitroaniline, Benzonitrile, 2-amino-5-nitro-, 2-Kyan-4-nitroanilin, UNII-SEZ79WRA1J, 2-amino-5-nitro-benzonitrile, BRN 1425714, CCRIS 9092, 2-Kyan-4-nitroanilin [Czech], ANILINE, 2-CYANO-4-NITRO-, EINECS 241-446-8, MFCD00007362, SEZ79WRA1J, MGCGMYPNXAFGFA-UHFFFAOYSA-N, Anthranilonitrile, 5-nitro- (6CI,8CI), 2-amino-5-nitrobenzenecarbonitrile, Anthranilonitrile, 5-nitro-, PubChem6763, 5-nitro-anthranilonitrile, AC1L1FJD, 4-Nitro-2-cyano aniline, ACMC-1BUW9, 2-Cyano-4-Nitro Aniline, AC1Q50QA, DSSTox_CID_18839, DSSTox_GSID_38839, 3-14-00-00980 (Beilstein Handbook Reference), KSC490I0P, SCHEMBL689735, Jsp003565, CHEMBL3560683, DTXSID0038839, CTK3J0407, ZINC3861189, 2-Amino-5-nitrobenzonitrile, 95%, Tox21_304032, 2-azanyl-5-nitro-benzenecarbonitrile, ANW-22700, BBL008611, RW3126, SBB057199, STK396674, AKOS002271284, AC-2661, CS-W014319, MCULE-5859354667, QC-2730, RP22587, RTR-007732, KS-0000056F, NCGC00356958-01, AJ-46142, AK-44961, AN-13752, AS-10860, BR-44961, CJ-10922, LS-19683, SC-01719, CAS-17420-30-3, DB-020483, ST2412121, TR-007732, A1314, FT-0637550, ST50165317, M-8853, A811621, I01-0271, W-107852, Z57902192, F0020-1807, InChI=1/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H, C7H5N3O2, C7-H5-N3-O2, CID28532, 2-Amino-5-nitrobenzonitrile, 96% - 100G 100g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.136g/mol
Monoisotopic Mass	163.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number