AG00BYK6

38469-84-0 | 5-METHOXY-2-NITROBENZONITRILE

AG00BYK6

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CAS Number	38469-84-0
Catalog Number	AG00BYK6(AGN-PC-0JOY4S)
Chemical Name	5-METHOXY-2-NITROBENZONITRILE
IUPAC Name	5-methoxy-2-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,1H3
InChI Key	GCXTYFJQZDWUNU-UHFFFAOYSA-N
MDL Number	MFCD09056823
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
NSC Number	263768
SMILES	C1=CC(=C(C#N)C=C1OC)[N+]([O-])=O
Synonyms	5-methoxy-2-nitrobenzonitrile, 38469-84-0, Benzonitrile, 5-methoxy-2-nitro-, NSC263768, ACMC-1ADUD, 3-Cyano-4-nitroanisole, AC1L80BC, 2-Cyano-4-methoxynitrobenzene, 2-nitro-5-methoxybenzonitrile, SCHEMBL404515, 5-Methoxy-2-nitro-benzonitrile, CTK3J4907, DTXSID70312869, GCXTYFJQZDWUNU-UHFFFAOYSA-N, KS-00000HV1, ZINC1558550, ANW-28904, CL8229, MFCD09056823, AKOS006329660, DS-0656, MB07019, NSC-263768, RP23933, RP23935, RTR-036665, AC-24340, AJ-27015, AK-28533, BR-28533, CJ-05336, SY034475, AB0024615, DB-069692, ST2412067, TR-036665, CS-0028759, FT-0687051, W5921, MFCD09056823 (95%), B-8152, J-517683, C8H6N2O3, CID319474, RW1833, 100-84-5,

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	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number