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1-bromo-2-fluoro-3-isothiocyanatobenzene

1-bromo-2-fluoro-3-isothiocyanatobenzene

CAS: 1517289-83-6

Formula: C7H3BrFNS

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

IUPAC: 1-bromo-2-fluoro-3-isothiocyanatobenzene

InChI: InChI=1S/C7H3BrFNS/c8-5-2-1-3-6(7(5)9)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 ASLKYOSUQGDVCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.96
Topological Polar Surface Area 12.36
Polarizability 18.58
Ring Count 1
Rotatable Bond Count 1

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90% <2 Days 1517289-83-6 $51.35-$86.31$51.35$63.37$86.31
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