1-bromo-3,4-dimethoxy-2-nitrobenzene

C8H8BrNO4 — CID 66522885

IUPAC1-bromo-3,4-dimethoxy-2-nitrobenzene
SMILESCOc1ccc(Br)c([N+](=O)[O-])c1OC
InChIInChI=1S/C8H8BrNO4/c1-13-6-4-3-5(9)7(10(11)12)8(6)14-2/h3-4H,1-2H3
InChIKeyPOQIGWDRMNFAPP-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.37
Rot. Bonds3

About 1-bromo-3,4-dimethoxy-2-nitrobenzene

1-bromo-3,4-dimethoxy-2-nitrobenzene (PubChem CID 66522885) has the molecular formula C8H8BrNO4 and a molecular weight of 262.06 g/mol. Its IUPAC name is 1-bromo-3,4-dimethoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-bromo-3,4-dimethoxy-2-nitrobenzene
PubChem CID66522885
Molecular FormulaC8H8BrNO4
Molecular Weight262.06 g/mol
Exact Mass260.96
IUPAC Name1-bromo-3,4-dimethoxy-2-nitrobenzene
SMILESCOc1ccc(Br)c([N+](=O)[O-])c1OC
InChIInChI=1S/C8H8BrNO4/c1-13-6-4-3-5(9)7(10(11)12)8(6)14-2/h3-4H,1-2H3
InChIKeyPOQIGWDRMNFAPP-UHFFFAOYSA-N
XLogP2.37
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-4-methoxy-3-nitro-2-phenoxybenzene
CID 118093960
2-(3,4-dimethoxy-2-nitrophenyl)acetic acid
CID 68912474
2-(6-bromo-3-methoxy-2-nitrophenyl)acetic acid
CID 171007936
1-(3,4-dimethoxy-2-nitrophenyl)ethyl hydrogen carbonate
CID 18763577
2,4-dimethoxy-3-nitrobenzenesulfonyl chloride
CID 172968951
1,2,4-tribromo-3-nitrobenzene
CID 118837685
(1S)-1-(6-bromo-3,4-dimethoxy-2-nitrophenyl)ethane-1,2-diamine
CID 165352097
2-bromo-1-methoxy-3-nitro-4-(trifluoromethyl)benzene
CID 171000238
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
1-bromo-2,5-difluoro-4-methoxy-3-nitrobenzene
CID 170434827

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dimethoxy-2-nitrobenzene?
The IUPAC name of 1-bromo-3,4-dimethoxy-2-nitrobenzene (CID 66522885) is 1-bromo-3,4-dimethoxy-2-nitrobenzene.
What is the SMILES notation for 1-bromo-3,4-dimethoxy-2-nitrobenzene?
The canonical SMILES for 1-bromo-3,4-dimethoxy-2-nitrobenzene is COc1ccc(Br)c([N+](=O)[O-])c1OC.
What is the InChIKey of 1-bromo-3,4-dimethoxy-2-nitrobenzene?
The InChIKey is POQIGWDRMNFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4/c1-13-6-4-3-5(9)7(10(11)12)8(6)14-2/h3-4H,1-2H3.
What are the key properties of 1-bromo-3,4-dimethoxy-2-nitrobenzene?
1-bromo-3,4-dimethoxy-2-nitrobenzene has a molecular weight of 262.06 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dimethoxy-2-nitrobenzene is sourced from PubChem (CID 66522885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).