1-bromo-2-methoxy-4-nitrobenzene

1-bromo-2-methoxy-4-nitrobenzene

CAS: 77337-82-7

Formula: C7H6BrNO3

SMILES: COC1=CC(=CC=C1Br)[N+]([O-])=O

IUPAC: 1-bromo-2-methoxy-4-nitrobenzene

InChI: InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.953106
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NTKADLOYTKVXQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.46
Topological Polar Surface Area	52.37
Polarizability	17.76
Ring Count	1
Rotatable Bond Count	2

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