3-bromoquinoline-6-carbonitrile

3-bromoquinoline-6-carbonitrile

CAS: 205114-19-8

Formula: C10H5BrN2

SMILES: BrC1=CN=C2C=CC(=CC2=C1)C#N

IUPAC: 3-bromoquinoline-6-carbonitrile

InChI: InChI=1S/C10H5BrN2/c11-9-4-8-3-7(5-12)1-2-10(8)13-6-9/h1-4,6H

Composition: C (51.53%), H (2.16%), Br (34.28%), N (12.02%)

Molar Mass: 233.068

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.963611
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MNDUNONVTLIGOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.32
Topological Polar Surface Area	36.68
Polarizability	21.47
Ring Count	2
Rotatable Bond Count	0

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