AG002S7F

261952-02-7 | Benzonitrile, 2-methyl-3-(trifluoromethyl)-

AG002S7F

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CAS Number	261952-02-7
Catalog Number	AG002S7F(AGN-PC-0KKZ8C)
Chemical Name	Benzonitrile, 2-methyl-3-(trifluoromethyl)-
IUPAC Name	2-methyl-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C9H6F3N/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-4H,1H3
InChI Key	HXGUSYYIWFJFGY-UHFFFAOYSA-N
MDL Number	MFCD01631593
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	N#CC1=CC=CC(C(F)(F)F)=C1C
Synonyms	2-Methyl-3-(trifluoromethyl)benzonitrile, 261952-02-7, MFCD01631593, AC1MCUE4, SCHEMBL6280692, 3-Cyano-2-methylbenzotrifluoride, CTK7C8634, KS-00000ZYF, DTXSID30381197, HXGUSYYIWFJFGY-UHFFFAOYSA-N, WT214, 2-Cyano-6-(trifluoromethyl)toluene, JRD-0933, ZINC2382295, 2284AB, ANW-44358, SBB090255, 2-methyl (trifluoromethyl)benzonitrile, AKOS015956008, PS-8501, AJ-34827, DB-030866, RT-007892, ST2404484, 4CH-002532, Benzonitrile, 2-methyl-3-(trifluoromethyl)-, FT-0738789, 2-methyl-3-(trifluoromethyl)benzenecarbonitrile, Q-9257, 261952-02-7 2-methyl-3-(trifluoromethyl)benzonitrile, C9H6F3N, ACN-055981, CID2778934,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.149g/mol
Monoisotopic Mass	185.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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