1-bromo-4,5-dimethoxy-2-nitrobenzene

1-bromo-4,5-dimethoxy-2-nitrobenzene

CAS: 51072-66-3

Formula: C8H8BrNO4

SMILES: COC1=CC(Br)=C(C=C1OC)[N+]([O-])=O

IUPAC: 1-bromo-4,5-dimethoxy-2-nitrobenzene

InChI: InChI=1S/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3

Composition: C (36.67%), H (3.08%), Br (30.49%), N (5.34%), O (24.42%)

Molar Mass: 262.059

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.963671
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DGUDEQARXVYDBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.93
Topological Polar Surface Area	61.6
Polarizability	20.33
Ring Count	1
Rotatable Bond Count	3

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