1,3-dichloro-4-methoxy-2-nitrobenzene

C7H5Cl2NO3 — CID 20513886

IUPAC1,3-dichloro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H5Cl2NO3/c1-13-5-3-2-4(8)7(6(5)9)10(11)12/h2-3H,1H3
InChIKeyNOHBAFVNPWPORE-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.91
Rot. Bonds2

About 1,3-dichloro-4-methoxy-2-nitrobenzene

1,3-dichloro-4-methoxy-2-nitrobenzene (PubChem CID 20513886) has the molecular formula C7H5Cl2NO3 and a molecular weight of 222.03 g/mol. Its IUPAC name is 1,3-dichloro-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1,3-dichloro-4-methoxy-2-nitrobenzene
PubChem CID20513886
Molecular FormulaC7H5Cl2NO3
Molecular Weight222.03 g/mol
Exact Mass220.96
IUPAC Name1,3-dichloro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H5Cl2NO3/c1-13-5-3-2-4(8)7(6(5)9)10(11)12/h2-3H,1H3
InChIKeyNOHBAFVNPWPORE-UHFFFAOYSA-N
XLogP2.91
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine
CID 83894563
2-(6-chloro-3-methoxy-2-nitrophenyl)acetonitrile
CID 171002897
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863
2-chloro-6-methoxy-3-nitrobenzenethiol
CID 170559954
2,4-dichloro-5-methoxy-3-nitrobenzamide
CID 175668713
3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
CID 134636384
tert-butyl 2,4-dichloro-3-nitrobenzoate
CID 177149352
1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene
CID 72707809
2,4-dimethoxy-3-nitrobenzenesulfonyl chloride
CID 172968951
3,6-dichloro-2-nitroaniline
CID 3576459

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-methoxy-2-nitrobenzene?
The IUPAC name of 1,3-dichloro-4-methoxy-2-nitrobenzene (CID 20513886) is 1,3-dichloro-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1,3-dichloro-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1,3-dichloro-4-methoxy-2-nitrobenzene is COc1ccc(Cl)c([N+](=O)[O-])c1Cl.
What is the InChIKey of 1,3-dichloro-4-methoxy-2-nitrobenzene?
The InChIKey is NOHBAFVNPWPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO3/c1-13-5-3-2-4(8)7(6(5)9)10(11)12/h2-3H,1H3.
What are the key properties of 1,3-dichloro-4-methoxy-2-nitrobenzene?
1,3-dichloro-4-methoxy-2-nitrobenzene has a molecular weight of 222.03 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 20513886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).