5-bromobenzene-1,3-dicarbonitrile

5-bromobenzene-1,3-dicarbonitrile

CAS: 160892-07-9

Formula: C8H3BrN2

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

IUPAC: 5-bromobenzene-1,3-dicarbonitrile

InChI: InChI=1S/C8H3BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H

Composition: C (46.41%), H (1.46%), Br (38.60%), N (13.53%)

Molar Mass: 207.03

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.947961
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KEODZYDOBHDZOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.12
Topological Polar Surface Area	47.58
Polarizability	16.83
Ring Count	1
Rotatable Bond Count	0

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