7-bromo-3-chlorocinnoline

7-bromo-3-chlorocinnoline

CAS: 1083181-46-7

Formula: C8H4BrClN2

SMILES: ClC1=NN=C2C=C(Br)C=CC2=C1

IUPAC: 7-bromo-3-chlorocinnoline

InChI: InChI=1S/C8H4BrClN2/c9-6-2-1-5-3-8(10)12-11-7(5)4-6/h1-4H

Composition: C (39.46%), H (1.66%), Br (32.82%), Cl (14.56%), N (11.51%)

Molar Mass: 243.49

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.924639
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UDNYTEVPMZLKJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.33
Topological Polar Surface Area	25.78
Polarizability	20.79
Ring Count	2
Rotatable Bond Count	0

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