AG000LT0

124289-22-1 | Benzonitrile, 3-methyl-5-nitro-

AG000LT0

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CAS Number	124289-22-1
Catalog Number	AG000LT0(AGN-PC-001TXQ)
Chemical Name	Benzonitrile, 3-methyl-5-nitro-
IUPAC Name	3-methyl-5-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,1H3
InChI Key	WEWBXIHWZDLYSN-UHFFFAOYSA-N
MDL Number	MFCD17170423
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	N#CC1=CC([N+]([O-])=O)=CC(C)=C1
Synonyms	3-METHYL-5-NITROBENZONITRILE, 124289-22-1, Benzonitrile, 3-methyl-5-nitro-, 3-Cyano-5-nitrotoluene, 3-CYANO-5-METHYLNITROBENZENE, KSC494G5N, SCHEMBL1344128, CTK3J4356, KS-00000OYM, DTXSID80561725, ANW-47975, MFCD17170423, WT1787, ZINC34319921, AKOS015919702, AS05873, CM13138, CS-W003891, DS-1683, AJ-87955, AK-53982, BR-53982, CJ-18297, SY016059, AB0030023, RT-001973, ST2410786, 4CH-010732, FT-0688159, X2202, 124289-22-1 3-methyl-5-nitrobenzonitrile, MFCD17170423 (95%), S-5027, Z1741977990, C8H6N2O2, 2-AMINO-6-BROMOPYRIDIN-3-OL,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number