1-isocyano-2-(trifluoromethyl)benzene, 91%

Name: 1-isocyano-2-(trifluoromethyl)benzene
Brand: Chempure

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CAS Number

105359-81-7

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About this item

IUPAC name	1-isocyano-2-(trifluoromethyl)benzene
inchi	InChI=1S/C8H4F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H
inchi key	NLYWGZABHMGXNS-UHFFFAOYSA-N
molecular formula	C8H4F3N
synonyms	1-isocyano-2-(trifluoromethyl)benzene 105359-81-7 Benzene, 1-isocyano-2-(trifluoromethyl)- (9CI) Benzene, 1-isocyano-2-(trifluoromethyl)- 2-(Trifluoromethyl)phenyl isocyanide

Computed Properties

Molecular Weight:	171.12 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	171.02958362 g/mol
Monoisotopic Mass:	171.02958362 g/mol
Topological Polar Surface Area:	4.4 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	200
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AY8747

1-isocyano-2-(trifluoromethyl)benzene, 91%

Product No: AY8747

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