AG009D69

142596-50-7 | 3-Methoxy-2-Nitro Benzonitrile

AG009D69

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CAS Number	142596-50-7
Catalog Number	AG009D69(AGN-PC-0N3EVF)
Chemical Name	3-Methoxy-2-Nitro Benzonitrile
IUPAC Name	3-methoxy-2-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O3/c1-13-7-4-2-3-6(5-9)8(7)10(11)12/h2-4H,1H3
InChI Key	OXWWZQUPPXKYQB-UHFFFAOYSA-N
MDL Number	MFCD18382535
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	N(=O)(=O)c1c(C#N)cccc1OC
Synonyms	3-methoxy-2-nitrobenzonitrile, 142596-50-7, 3-methoxy-2-nitro-benzonitrile, Benzonitrile, 3-methoxy-2-nitro-, 3-METHOXY-2-NITRO BENZONITRILE, Benzonitrile,3-methoxy-2-nitro-, ACMC-1C4EN, Intermediates-ZCF02084, BEN163, SCHEMBL2258495, 3-CYANO-2-NITROANISOLE, CTK4C3198, DTXSID10438855, OXWWZQUPPXKYQB-UHFFFAOYSA-N, 6976AA, ANW-63959, MFCD18382535, ZINC37594066, AKOS015911987, AS05868, CM13133, FCH1154415, RP23934, AC-24342, AJ-94101, AS-33160, EN001589, AX8087693, DB-049968, TC-152704, CS-0084921, FT-0765084, Z-8728, J-512753, I14-36664, C8H6N2O3, CID10374991,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.147g/mol
Monoisotopic Mass	178.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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