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4-bromothiophene-2-carbonitrile

4-bromothiophene-2-carbonitrile

CAS: 18791-99-6

Formula: C5H2BrNS

SMILES: BrC1=CSC(=C1)C#N

IUPAC: 4-bromothiophene-2-carbonitrile

InChI: InChI=1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H

Composition: C (31.94%), H (1.07%), Br (42.49%), N (7.45%), S (17.05%)

Molar Mass: 188.04

Atom Count: 10

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.909133
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DJYVXBJLHPKUKS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.29
Topological Polar Surface Area 23.79
Polarizability 13.83
Ring Count 1
Rotatable Bond Count 0

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