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2-(5-bromothiophen-2-yl)acetonitrile

2-(5-bromothiophen-2-yl)acetonitrile

CAS: 71637-37-1

Formula: C6H4BrNS

SMILES: BrC1=CC=C(CC#N)S1

IUPAC: 2-(5-bromothiophen-2-yl)acetonitrile

InChI: InChI=1S/C6H4BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3H2

Composition: C (35.66%), H (2.00%), Br (39.54%), N (6.93%), S (15.87%)

Molar Mass: 202.07

Atom Count: 13

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.924783
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZFTILCZVZSZDLI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.02
Topological Polar Surface Area 23.79
Polarizability 15.5
Ring Count 1
Rotatable Bond Count 1

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