1-bromo-4-nitronaphthalene

1-bromo-4-nitronaphthalene

CAS: 853337

Formula: C10H6BrNO2

SMILES: [O-][N+](=O)C1=C2C=CC=CC2=C(Br)C=C1

IUPAC: 1-bromo-4-nitronaphthalene

InChI: InChI=1S/C10H6BrNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H

Composition: C (47.65%), H (2.40%), Br (31.70%), N (5.56%), O (12.69%)

Molar Mass: 252.067

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.958191
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OUENKLKXUFZIPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.45
Topological Polar Surface Area	43.14
Polarizability	22.45
Ring Count	2
Rotatable Bond Count	1

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