1-isocyanato-3-(trifluoromethyl)benzene

1-isocyanato-3-(trifluoromethyl)benzene

CAS: 329-01-1

Formula: C8H4F3NO

SMILES: FC(F)(F)C1=CC(=CC=C1)N=C=O

IUPAC: 1-isocyanato-3-(trifluoromethyl)benzene

InChI: InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H

Composition: C (51.35%), H (2.15%), F (30.46%), N (7.49%), O (8.55%)

Molar Mass: 187.121

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.024498242
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SXJYSIBLFGQAND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.1
Topological Polar Surface Area	29.43
Polarizability	13.96
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	329-01-1		Quote Only