4-bromo-5-methyl-1H-pyrrole-2-carbonitrile

4-bromo-5-methyl-1H-pyrrole-2-carbonitrile

CAS: 1350521-56-0

Formula: C6H5BrN2

SMILES: CC1=C(Br)C=C(N1)C#N

IUPAC: 4-bromo-5-methyl-1H-pyrrole-2-carbonitrile

InChI: InChI=1S/C6H5BrN2/c1-4-6(7)2-5(3-8)9-4/h2,9H,1H3

Composition: C (38.95%), H (2.72%), Br (43.19%), N (15.14%)

Molar Mass: 185.024

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.963611
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BPHUOCGIYKCJRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.19
Topological Polar Surface Area	39.58
Polarizability	14.53
Ring Count	1
Rotatable Bond Count	0

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