1-bromo-4-fluoro-2-isothiocyanatobenzene

1-bromo-4-fluoro-2-isothiocyanatobenzene

CAS: 175205-35-3

Formula: C7H3BrFNS

SMILES: FC1=CC(N=C=S)=C(Br)C=C1

IUPAC: 1-bromo-4-fluoro-2-isothiocyanatobenzene

InChI: InChI=1S/C7H3BrFNS/c8-6-2-1-5(9)3-7(6)10-4-11/h1-3H

Composition: C (36.23%), H (1.30%), Br (34.43%), F (8.19%), N (6.04%), S (13.81%)

Molar Mass: 232.07

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.915361
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LPYALAIWRFVCHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.96
Topological Polar Surface Area	12.36
Polarizability	18.57
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	175205-35-3		$51.35-$86.31$51.35$63.37$86.31

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	175205-35-3		$193.55-$1,240.97$193.55$256.68$470.93$1,240.97