4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene

C9H8BrNO3 — CID 92527994

IUPAC4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
SMILESCOc1ccc(Br)cc1/C=C\[N+](=O)[O-]
InChIInChI=1S/C9H8BrNO3/c1-14-9-3-2-8(10)6-7(9)4-5-11(12)13/h2-6H,1H3/b5-4-
InChIKeyIAHCHTBHTXVKTC-PLNGDYQASA-N
MW258.07 g/mol
LogP2.71
Rot. Bonds3

About 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene

4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene (PubChem CID 92527994) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
PubChem CID92527994
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
SMILESCOc1ccc(Br)cc1/C=C\[N+](=O)[O-]
InChIInChI=1S/C9H8BrNO3/c1-14-9-3-2-8(10)6-7(9)4-5-11(12)13/h2-6H,1H3/b5-4-
InChIKeyIAHCHTBHTXVKTC-PLNGDYQASA-N
XLogP2.71
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 52.71
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

4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
CID 126374464
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
5-[(Z)-2-(5-bromo-2-methoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 93011636
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 9447952
(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 63969477
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
1-bromo-5-methoxy-4-[(E)-2-nitroethenyl]-2-(trifluoromethoxy)benzene
CID 172547200
2-[[4-bromo-2-(2-nitroethenyl)phenoxy]methyl]benzonitrile
CID 1494564
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene?
The IUPAC name of 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene (CID 92527994) is 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene is COc1ccc(Br)cc1/C=C\[N+](=O)[O-].
What is the InChIKey of 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene?
The InChIKey is IAHCHTBHTXVKTC-PLNGDYQASA-N. The full InChI is InChI=1S/C9H8BrNO3/c1-14-9-3-2-8(10)6-7(9)4-5-11(12)13/h2-6H,1H3/b5-4-.
What are the key properties of 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene?
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene has a molecular weight of 258.07 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene is sourced from PubChem (CID 92527994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).