4-bromo-1-nitroisoquinoline

4-bromo-1-nitroisoquinoline

CAS: 182184-81-2

Formula: C9H5BrN2O2

SMILES: [O-][N+](=O)C1=NC=C(Br)C2=CC=CC=C12

IUPAC: 4-bromo-1-nitroisoquinoline

InChI: InChI=1S/C9H5BrN2O2/c10-8-5-11-9(12(13)14)7-4-2-1-3-6(7)8/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	MEQNRTAXJQOUSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.61
Topological Polar Surface Area	56.03
Polarizability	21.63
Ring Count	2
Rotatable Bond Count	1

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