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2-(2-bromopyridin-4-yl)acetonitrile

2-(2-bromopyridin-4-yl)acetonitrile

CAS: 312325-74-9

Formula: C7H5BrN2

SMILES: BrC1=CC(CC#N)=CC=N1

IUPAC: 2-(2-bromopyridin-4-yl)acetonitrile

InChI: InChI=1S/C7H5BrN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1H2

Composition: C (42.67%), H (2.56%), Br (40.55%), N (14.22%)

Molar Mass: 197.035

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.963611
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PBNYXTKBDQXJFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.65
Topological Polar Surface Area 36.68
Polarizability 15.87
Ring Count 1
Rotatable Bond Count 1

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