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5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile

5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile - CAS 1108745-25-0

Catalog:	BB002683
Product Name:	5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile
CAS:	1108745-25-0
Synonyms:	5-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrile; 5-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrile
Description:	5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile (CAS# 1108745-25-0 ) is a useful research chemical.
Molecular Weight:	247.22
Molecular Formula:	C14H8F3N
Canonical SMILES:	C1=CC(=C(C=C1CC2=CC(=CC(=C2)F)F)C#N)F
InChI:	InChI=1S/C14H8F3N/c15-12-5-10(6-13(16)7-12)3-9-1-2-14(17)11(4-9)8-18/h1-2,4-7H,3H2
InChI Key:	RWGYBBYLYLUHJF-UHFFFAOYSA-N
LogP:	3.56638

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.06088375
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.06088375
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9