AG00EB1O

56935-78-5 | 2-(Difluoromethoxy)benzonitrile

AG00EB1O

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CAS Number	56935-78-5
Catalog Number	AG00EB1O(AGN-PC-0SMNXU)
Chemical Name	2-(Difluoromethoxy)benzonitrile
IUPAC Name	2-(difluoromethoxy)benzonitrile
InChI	InChI=1S/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H
InChI Key	PLTPHQGNJHSBBR-UHFFFAOYSA-N
MDL Number	MFCD00221469
Molecular Formula	C8H5F2NO
Molecular Weight	169.1282
SMILES	O(C(F)F)c1c(C#N)cccc1
Synonyms	2-(difluoromethoxy)benzonitrile, 56935-78-5, Benzonitrile,2-(difluoromethoxy)-, AC1MCNYF, SCHEMBL8013768, CTK5A5980, TIMTEC-BB SBB021782, DTXSID50378887, AKOS B018636, ART-CHEM-BB B018636, ZINC153337, KS-00000M6T, MFCD00221469, SBB021782, STK349499, 2-(difluoromethoxy)benzenecarbonitrile, AKOS000309347, AS02732, DS-5137, MCULE-4712206296, NE18833, VZ23278, AC-28561, AJ-12950, AK135686, ZB005412, DB-019502, 2-[bis(fluoranyl)methoxy]benzenecarbonitrile, FT-0608780, ST24039634, EN300-91368, A831243, Z1263529842, 2- BENZONITRILE, ZINC00153337, CID2774113,

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	2.5

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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