1,5-dichloro-2-methoxy-4-nitrobenzene

1,5-dichloro-2-methoxy-4-nitrobenzene

CAS: 85829-14-7

Formula: C7H5Cl2NO3

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

IUPAC: 1,5-dichloro-2-methoxy-4-nitrobenzene

InChI: InChI=1S/C7H5Cl2NO3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3

Composition: C (37.87%), H (2.27%), Cl (31.93%), N (6.31%), O (21.62%)

Molar Mass: 222.02

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.9646484
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AWZSXENBQLPKOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.45
Topological Polar Surface Area	52.37
Polarizability	18.72
Ring Count	1
Rotatable Bond Count	2

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