AG003KHU

425702-28-9 | 4,5-Difluoro-2-methoxybenzonitrile

AG003KHU

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CAS Number	425702-28-9
Catalog Number	AG003KHU(AGN-PC-0WANO4)
Chemical Name	4,5-Difluoro-2-methoxybenzonitrile
IUPAC Name	4,5-difluoro-2-methoxybenzonitrile
InChI	InChI=1S/C8H5F2NO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3
InChI Key	HACKETIBYOIPCJ-UHFFFAOYSA-N
MDL Number	MFCD06660346
Molecular Formula	C8H5F2NO
Molecular Weight	169.1282
SMILES	N#CC1=CC(F)=C(F)C=C1OC
Synonyms	4,5-Difluoro-2-methoxybenzonitrile, 425702-28-9, 2-Cyano-4,5-difluoroanisole, 2-Methoxy-4,5-difluorobenzonitrile, Benzonitrile, 4,5-difluoro-2-methoxy-, 4,5-difluoro-2-methoxy-benzonitrile, MFCD06660346, AK-61816, 4,5-difluoro-2-methoxybenzenecarbonitrile, PubChem4767, ACMC-1AO6R, KSC235I9N, SCHEMBL286978, CTK1D5496, KS-00000NUX, DTXSID30476375, HACKETIBYOIPCJ-UHFFFAOYSA-N, ACT00945, JRD-1993, ZX-AP007352, ANW-47946, BBL100691, FCH920240, PC1124, SBB063666, STL554485, ZINC12359159, AKOS005254663, AC-4065, AM61531, AS01665, CD-1200, CM13050, TF10122, TRA0038470, ACM425702289, AJ-61393, AN-12332, AS-18361, BR-61816, CJ-13871, SC-04436, 4,5 - Difluoro - 2 - methoxybenzonitrile, AB0024873, AX8092561, RT-009029, ST2405250, FT-0081787, FT-0651224, W6230, S-5981, I01-2443, C8H5F2NO, A1687,

Complexity	201
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	1
Topological Polar Surface Area	33A^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	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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