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2-bromo-4-fluoro-1-(methylsulfanyl)benzene

2-bromo-4-fluoro-1-(methylsulfanyl)benzene

CAS: 91524-70-8

Formula: C7H6BrFS

SMILES: CSC1=CC=C(F)C=C1Br

IUPAC: 2-bromo-4-fluoro-1-(methylsulfanyl)benzene

InChI: InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

Composition: C (38.03%), H (2.74%), Br (36.14%), F (8.59%), S (14.50%)

Molar Mass: 221.09

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.935763
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey XQGBAFLNAQHQNY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.66
Topological Polar Surface Area 0
Polarizability 17.77
Ring Count 1
Rotatable Bond Count 1

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