1,2-dibromo-5-methoxy-3-nitrobenzene

1,2-dibromo-5-methoxy-3-nitrobenzene

CAS: 10172-36-8

Formula: C7H5Br2NO3

SMILES: COC1=CC(Br)=C(Br)C(=C1)[N+]([O-])=O

IUPAC: 1,2-dibromo-5-methoxy-3-nitrobenzene

InChI: InChI=1S/C7H5Br2NO3/c1-13-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3

Composition: C (27.04%), H (1.62%), Br (51.40%), N (4.50%), O (15.44%)

Molar Mass: 310.929

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.863619
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PIVVFYZPCVAFMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.09
Topological Polar Surface Area	52.37
Polarizability	20.92
Ring Count	1
Rotatable Bond Count	2

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