5-bromo-1H-pyrrole-2,3-dicarbonitrile

5-bromo-1H-pyrrole-2,3-dicarbonitrile

CAS: 50847-09-1

Formula: C6H2BrN3

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

IUPAC: 5-bromo-1H-pyrrole-2,3-dicarbonitrile

InChI: InChI=1S/C6H2BrN3/c7-6-1-4(2-8)5(3-9)10-6/h1,10H

Composition: C (36.77%), H (1.03%), Br (40.77%), N (21.44%)

Molar Mass: 196.007

Atom Count: 12

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.94321
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SZMNKRSIBWATKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.54
Topological Polar Surface Area	63.37
Polarizability	14.72
Ring Count	1
Rotatable Bond Count	0

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