1-bromo-4-chloro-2-methoxy-5-nitrobenzene

C7H5BrClNO3 — CID 126419830

IUPAC1-bromo-4-chloro-2-methoxy-5-nitrobenzene
SMILESCOc1cc(Cl)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H5BrClNO3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,1H3
InChIKeyHIUOENCFCFEMTN-UHFFFAOYSA-N
MW266.48 g/mol
LogP3.02
Rot. Bonds2

About 1-bromo-4-chloro-2-methoxy-5-nitrobenzene

1-bromo-4-chloro-2-methoxy-5-nitrobenzene (PubChem CID 126419830) has the molecular formula C7H5BrClNO3 and a molecular weight of 266.48 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-methoxy-5-nitrobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-methoxy-5-nitrobenzene
PubChem CID126419830
Molecular FormulaC7H5BrClNO3
Molecular Weight266.48 g/mol
Exact Mass264.91
IUPAC Name1-bromo-4-chloro-2-methoxy-5-nitrobenzene
SMILESCOc1cc(Cl)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H5BrClNO3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,1H3
InChIKeyHIUOENCFCFEMTN-UHFFFAOYSA-N
XLogP3.02
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 53.02
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

1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
5-bromo-4-methyl-2-nitroaniline;5-chloro-2-methoxy-4-nitroaniline
CID 87659403
5-chloro-2-methoxy-4-nitrobenzonitrile
CID 154102599
2-chloro-4,5-dimethoxyaniline;1-chloro-4,5-dimethoxy-2-nitrobenzene;dichlorotin
CID 165072358
2-(4-bromo-5-methoxy-2-nitrophenyl)acetaldehyde
CID 172609381
1-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxy-2-nitrobenzene
CID 10408539
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
1-(2-bromo-5-chloro-4-nitrophenyl)ethanone
CID 131491597
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
(2,5-dichloro-4-nitrophenoxy)-trimethylsilane
CID 167719977
2-bromo-4-methoxy-5-nitrobenzenesulfonyl chloride
CID 171005589

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-methoxy-5-nitrobenzene?
The IUPAC name of 1-bromo-4-chloro-2-methoxy-5-nitrobenzene (CID 126419830) is 1-bromo-4-chloro-2-methoxy-5-nitrobenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-methoxy-5-nitrobenzene?
The canonical SMILES for 1-bromo-4-chloro-2-methoxy-5-nitrobenzene is COc1cc(Cl)c([N+](=O)[O-])cc1Br.
What is the InChIKey of 1-bromo-4-chloro-2-methoxy-5-nitrobenzene?
The InChIKey is HIUOENCFCFEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,1H3.
What are the key properties of 1-bromo-4-chloro-2-methoxy-5-nitrobenzene?
1-bromo-4-chloro-2-methoxy-5-nitrobenzene has a molecular weight of 266.48 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-methoxy-5-nitrobenzene is sourced from PubChem (CID 126419830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).