AG003LQ5

26830-95-5 | 4-Methyl-2-nitrobenzonitrile

AG003LQ5

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CAS Number	26830-95-5
Catalog Number	AG003LQ5(AGN-PC-0JM1RT)
Chemical Name	4-Methyl-2-nitrobenzonitrile
EC Number	248-019-5
IUPAC Name	4-methyl-2-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
InChI Key	QGBSLPHQCUIZKK-UHFFFAOYSA-N
MDL Number	MFCD00056107
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
NSC Number	60828
SMILES	N#CC1=CC=C(C)C=C1[N+]([O-])=O
Synonyms	4-Methyl-2-nitrobenzonitrile, 26830-95-5, 2-Nitro-p-tolunitrile, 2-Nitro-4-toluonitrile, Benzonitrile, 4-methyl-2-nitro-, 2-nitro-4-methylbenzonitrile, MFCD00056107, 4-methyl-2-nitro-benzonitrile, QGBSLPHQCUIZKK-UHFFFAOYSA-N, 4-methyl-2-nitrobenzenecarbonitrile, NSC60828, EINECS 248-019-5, PubChem13730, AI3-16689, AC1Q4RFI, ACMC-1CJM6, 2-Cyano-5-methylnitrobenzene, KSC494K5H, SCHEMBL404758, 4-methyl-2-nitro benzonitrile, AC1L3W18, 4-Methyl-2-nitrobenzonitrile #, CTK3J4553, QGBSLPHQCUIZKK-UHFFFAOYSA-, DTXSID40181322, ZINC167229, ACT08179, 4-Methyl-2-nitrobenzonitrile, 97%, ANW-46380, CL8217, CN-437, NSC-60828, SBB087581, AKOS015891265, AS02388, MCULE-3392524412, TRA0053730, VZ29370, AJ-16628, AK-86269, AS-46000, CJ-02383, SC-48273, ZB008793, AB0023853, DB-047028, RT-002074, ST2405880, FT-0619010, N0494, ST50406521, W5000, X-1204, 830M955, I01-8852, J-016565, Z2466331741, InChI=1/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3, 3-Nitro-p-tolunitrile, 2-NITRO-P-TOLUONITRILE, C8H6N2O2, C8-H6-N2-O2, CID96235, AR-1G3378, ACN-041681, 4-Methyl-2-nitrobenzonitrile, 98% - 25G 25g, 1779-10-8, 27704-15-0,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312-H331
Precuationary statements	P261-P302+P352
Siginal words

Certificate of Analysis

Lot Number