AG00II4I

943845-24-7 | 2-(Difluoromethoxy)isonicotinonitrile

AG00II4I

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CAS Number	943845-24-7
Catalog Number	AG00II4I(AGN-PC-0WCRWT)
Chemical Name	2-(Difluoromethoxy)isonicotinonitrile
IUPAC Name	2-(difluoromethoxy)pyridine-4-carbonitrile
InChI	InChI=1S/C7H4F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H
InChI Key	FTAIBGRHEXLHRZ-UHFFFAOYSA-N
MDL Number	MFCD14698408
Molecular Formula	C7H4F2N2O
Molecular Weight	170.1163
SMILES	FC(OC1=NC=CC(C#N)=C1)F
Synonyms	2-(difluoromethoxy)isonicotinonitrile, 943845-24-7, 2-(difluoromethoxy)pyridine-4-carbonitrile, SCHEMBL10164882, DTXSID10673300, 4-Cyano-2-(difluoromethoxy)pyridine, ZINC47203195, RL05930, AJ-110726, 4-Pyridinecarbonitrile, 2-(difluoromethoxy)-, J-506371,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.119g/mol
Monoisotopic Mass	170.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H318-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code	UN 3439

Certificate of Analysis

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