AG003LMF

38469-83-9 | 4-Methoxy-2-nitrobenzonitrile

AG003LMF

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CAS Number	38469-83-9
Catalog Number	AG003LMF(AGN-PC-0JPA9G)
Chemical Name	4-Methoxy-2-nitrobenzonitrile
IUPAC Name	4-methoxy-2-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
InChI Key	UUYPUFCWSUBTFP-UHFFFAOYSA-N
MDL Number	MFCD00667741
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
NSC Number	149944
SMILES	N#CC1=CC=C(OC)C=C1[N+]([O-])=O
Synonyms	4-Methoxy-2-nitrobenzonitrile, 38469-83-9, 2-Nitro-4-methoxybenzonitrile, 4-CYANO-3-NITROANISOLE, 4-Methoxy-2-nitro-benzonitrile, Benzonitrile, 4-methoxy-2-nitro-, NSC149944, PubChem16089, ACMC-209xbl, 3-nitro-4-cyanoanisole, AC1L6A2A, AC1Q1Y9I, KSC580A1D, SCHEMBL2258930, CTK4I0011, Benzonitrile,4-methoxy-2-nitro-, DTXSID30302281, UUYPUFCWSUBTFP-UHFFFAOYSA-N, WT102, ACT00687, KS-000010CB, ZINC1744435, ANW-47455, MFCD00667741, SC5019, 4-Methoxy-2-nitrobenzonitrile, 97%, 4-Methoxy-2-nitrobenzonitrile, 98%, AKOS005146114, AB06728, AC-7663, AM82819, AN-8753, MCULE-4430175312, NSC-149944, TRA0076204, AJ-31399, AK-34952, AS-18827, BR-34952, CJ-07000, CJ-29589, SC-42358, AB0030573, DB-000552, ST2405856, TC-136200, 4CH-002518, FT-0649737, TL80074150, X2778, 38469-83-9 4-methoxy-2-nitrobenzonitrile, S-2738, 469M839, I14-11345, C8H6N2O3, AR-1G3073, CID288665, 4-Methoxy-2-nitrobenzonitrile, 98% - 1G 1g, 38780-38-0,

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	1.5

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

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