AG0065AR

932375-18-3 | 4-Fluoro-2-methyl-5-nitrobenzonitrile

AG0065AR

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CAS Number	932375-18-3
Catalog Number	AG0065AR(AGN-PC-0WD0IQ)
Chemical Name	4-Fluoro-2-methyl-5-nitrobenzonitrile
IUPAC Name	4-fluoro-2-methyl-5-nitrobenzonitrile
InChI	InChI=1S/C8H5FN2O2/c1-5-2-7(9)8(11(12)13)3-6(5)4-10/h2-3H,1H3
InChI Key	MCWKESZUGXPBHI-UHFFFAOYSA-N
MDL Number	MFCD19441322
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	N#CC1=CC([N+]([O-])=O)=C(F)C=C1C
Synonyms	4-Fluoro-2-methyl-5-nitrobenzonitrile, 932375-18-3, 4-Fluoro-5-nitro-2-methylbenzonitrile, SCHEMBL2870229, CTK8B5234, DTXSID50721016, MCWKESZUGXPBHI-UHFFFAOYSA-N, ANW-48094, MFCD19441322, SC4319, ZINC72482163, AKOS015919743, AS05855, CM13097, FCH1606447, AK-77975, BR-77975, Benzonitrile, 4-fluoro-2-methyl-5-nitro-, AJ-121230, AX8224488, TC-136839, ST24023540, W9597, S-5414, C8H5FN2O2,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/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 Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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