AG00C0JC

41429-16-7 | 4-(Difluoromethoxy)phenylacetonitrile

AG00C0JC

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CAS Number	41429-16-7
Catalog Number	AG00C0JC(AGN-PC-0KK88C)
Chemical Name	4-(Difluoromethoxy)phenylacetonitrile
IUPAC Name	2-[4-(difluoromethoxy)phenyl]acetonitrile
InChI	InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5H2
InChI Key	LSFWUQCOTXRZHH-UHFFFAOYSA-N
MDL Number	MFCD00236242
Molecular Formula	C9H7F2NO
Molecular Weight	183.1548
SMILES	N#CCC1=CC=C(OC(F)F)C=C1
Synonyms	41429-16-7, 4-(Difluoromethoxy)phenylacetonitrile, 2-[4-(difluoromethoxy)phenyl]acetonitrile, 2-(4-(difluoromethoxy)phenyl)acetonitrile, [4-(difluoromethoxy)phenyl]acetonitrile, Benzeneacetonitrile, 4-(difluoromethoxy)-, 4-(Difluoromethoxy)benzyl cyanide, 2-[4-(difluoromethoxy)phenyl]ethanenitrile, PubChem18476, ACMC-209jkb, AC1MC6NT, AC1Q4KPZ, SCHEMBL349208, 4-difluoromethoxy-benzyl cyanide, CTK4I4824, DTXSID70371774, LSFWUQCOTXRZHH-UHFFFAOYSA-N, HMS1749O08, JRD-0484, KS-00003KB8, ZINC2560143, ANW-29625, MFCD00236242, SBB064900, AKOS001094497, AM61535, FS-1155, MCULE-7085280323, TF10169, (4-difluoromethoxy-phenyl)-acetonitrile, 4 - (Difluoromethoxy)phenylacetonitrile, Benzeneacetonitrile,4-(difluoromethoxy)-, CJ-09524, SC-13968, TR-016418, 4-(DIFLUOROMETHOXY)BENZENEACETONITRILE, FT-0639713, ST51041572, V5856, K-8744, I01-6260, C9H7F2NO, 4- PHENYLACETONITRILE, ZINC02560143, CID2737018, A1685,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.158g/mol
Monoisotopic Mass	183.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P310-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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