AG0012F5

13682-18-3 | 2-(3-Nitro-phenyl)-1h-imidazole

AG0012F5

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CAS Number	13682-18-3
Catalog Number	AG0012F5(AGN-PC-0JWK1B)
Chemical Name	2-(3-Nitro-phenyl)-1h-imidazole
IUPAC Name	2-(3-nitrophenyl)-1H-imidazole
InChI	InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-6H,(H,10,11)
InChI Key	ZPWKGNWCVRBHJB-UHFFFAOYSA-N
MDL Number	MFCD05863370
Molecular Formula	C9H7N3O2
Molecular Weight	189.1708
SMILES	O=[N+](C1=CC(C2=NC=CN2)=CC=C1)[O-]
Synonyms	13682-18-3, 2-(3-nitrophenyl)-1H-imidazole, 2-(3-nitrophenyl)imidazole, 2-(3-Nitro-phenyl)-1H-imidazole, 2-(3-NITROPHENYL)-IMIDAZOLE, 1H-Imidazole, 2-(3-nitrophenyl)-, 2-{3-nitrophenyl}-1H-imidazole, AC1LGGPV, 2-(3nitrophenyl)imidazole, AC1Q1X80, CHEMBL539952, SCHEMBL1655585, CTK4C0495, DTXSID10356267, ZPWKGNWCVRBHJB-UHFFFAOYSA-N, ZINC337644, 1H-Imidazole,2-(3-nitrophenyl)-, 5213AJ, MFCD05863370, SBB090913, STL301950, AKOS010011660, AC-9328, AN-7142, MB03622, MCULE-7375371748, TRA0070752, NCGC00374413-01, AJ-19861, AS-32011, SY012459, ZB010870, AB0072293, DB-005770, TC-020982, FT-0602625, EN300-45160, MFCD05863370 (95%), A-2135, A807146, AQ-776/42801171, J-006917, I14-33610, C9H7N3O2, CID821001, ZINC00337644,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.174g/mol
Monoisotopic Mass	189.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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