1,5-dibromo-3-fluoro-2-isothiocyanatobenzene

1,5-dibromo-3-fluoro-2-isothiocyanatobenzene

CAS: 244022-67-1

Formula: C7H2Br2FNS

SMILES: FC1=CC(Br)=CC(Br)=C1N=C=S

IUPAC: 1,5-dibromo-3-fluoro-2-isothiocyanatobenzene

InChI: InChI=1S/C7H2Br2FNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

Composition: C (27.04%), H (0.65%), Br (51.39%), F (6.11%), N (4.50%), S (10.31%)

Molar Mass: 310.97

Atom Count: 14

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.825874
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VDTMHXBNLSMARZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.58
Topological Polar Surface Area	12.36
Polarizability	21.67
Ring Count	1
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	244022-67-1		$51.35-$86.31$51.35$63.37$86.31