1-fluoro-2-(isothiocyanatomethyl)benzene

1-fluoro-2-(isothiocyanatomethyl)benzene

CAS: 64382-80-5

Formula: C8H6FNS

SMILES: FC1=C(CN=C=S)C=CC=C1

IUPAC: 1-fluoro-2-(isothiocyanatomethyl)benzene

InChI: InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

Composition: C (57.47%), H (3.62%), F (11.36%), N (8.38%), S (19.17%)

Molar Mass: 167.2

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.020498534
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HHJNPMOABDDXEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.16
Topological Polar Surface Area	12.36
Polarizability	17.53
Ring Count	1
Rotatable Bond Count	2

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