AG0092FX

10496-75-0 | 2-Methoxy-5-nitrobenzonitrile

AG0092FX

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CAS Number	10496-75-0
Catalog Number	AG0092FX(AGN-PC-0JLU1K)
Chemical Name	2-Methoxy-5-nitrobenzonitrile
EC Number	234-027-6
IUPAC Name	2-methoxy-5-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3
InChI Key	LTYIIDMVVUWOGP-UHFFFAOYSA-N
MDL Number	MFCD00035891
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	COC1=C(C=C(C=C1)[N+]([O-])=O)C#N
Synonyms	2-Methoxy-5-nitrobenzonitrile, 10496-75-0, 2-methoxy-5-nitro-benzonitrile, 2-Cyano-4-nitroanisole, Benzonitrile, 2-methoxy-5-nitro-, EINECS 234-027-6, Benzonitrile,2-methoxy-5-nitro-, AC1Q1ZMI, AC1Q44RR, 5-nitro-2-methoxybenzonitrile, AC1L33W2, SCHEMBL6865120, CTK4A3529, DTXSID00146876, LTYIIDMVVUWOGP-UHFFFAOYSA-N, ALBB-003710, ZINC5733571, 2-methoxy-5-nitrobenzenecarbonitrile, ANW-66465, BBL015233, MFCD00035891, STK262285, 2-methoxy-5-nitro-benzenecarbonitrile, AKOS000304696, AKOS015941377, MCULE-9442618567, AJ-54667, AK-45768, AM806847, AN-16374, DS-13648, AB0177241, DB-059225, TR-053802, 4CH-001737, ST45113682, Z6771, EN300-15567, Z-4782, A801116, J-001299, C8H6N2O3, C8-H6-N2-O3, CID82677, AR-1E3124, 10554-56-0,

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	1.9

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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