AG006BQ2

97582-88-2 | 3-(Difluoromethoxy)benzonitrile

AG006BQ2

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CAS Number	97582-88-2
Catalog Number	AG006BQ2(AGN-PC-0KK87J)
Chemical Name	3-(Difluoromethoxy)benzonitrile
IUPAC Name	3-(difluoromethoxy)benzonitrile
InChI	InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H
InChI Key	JCBOPIBHZFBHQW-UHFFFAOYSA-N
MDL Number	MFCD00236225
Molecular Formula	C8H5F2NO
Molecular Weight	169.1282
SMILES	N#CC1=CC=CC(OC(F)F)=C1
Synonyms	3-(Difluoromethoxy)benzonitrile, 97582-88-2, 3-(difluoromethoxy)benzenecarbonitrile, AC1MC6M5, SCHEMBL533610, CTK3I6533, KS-00003RBC, DTXSID00371747, JCBOPIBHZFBHQW-UHFFFAOYSA-N, 3-Cyanophenyl difluoromethyl ether, 3-Cyano-alpha,alpha-difluoroanisole, ACT14340, ZINC2560128, 4568AF, MFCD00236225, SBB088242, 3-(Difluoromethoxy)benzonitrile, 98%, AKOS009158268, AS02734, MCULE-4537789138, PS-8720, VZ26087, AJ-40464, AK135695, SC-54237, DB-057677, TR-030233, 3-[bis(fluoranyl)methoxy]benzenecarbonitrile, FT-0642343, ST51041568, Y-9903, A845725, I01-14878, C8H5F2NO, ZINC02560128, CID2736988,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.131g/mol
Monoisotopic Mass	169.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number