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8-bromo-5-nitroquinoline

8-bromo-5-nitroquinoline

CAS: 139366-35-1

Formula: C9H5BrN2O2

SMILES: [O-][N+](=O)C1=C2C=CC=NC2=C(Br)C=C1

IUPAC: 8-bromo-5-nitroquinoline

InChI: InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H

Composition: C (42.72%), H (1.99%), Br (31.58%), N (11.07%), O (12.64%)

Molar Mass: 253.055

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.95344
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LEMUPVPKQOTZAE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.92
Topological Polar Surface Area 56.03
Polarizability 21.63
Ring Count 2
Rotatable Bond Count 1

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