1-bromo-2-methoxy-3-(nitrosomethyl)benzene

C8H8BrNO2 — CID 88892699

IUPAC1-bromo-2-methoxy-3-(nitrosomethyl)benzene
SMILESCOc1c(Br)cccc1CN=O
InChIInChI=1S/C8H8BrNO2/c1-12-8-6(5-10-11)3-2-4-7(8)9/h2-4H,5H2,1H3
InChIKeyQVBQAWBDSNABAF-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.72
Rot. Bonds3

About 1-bromo-2-methoxy-3-(nitrosomethyl)benzene

1-bromo-2-methoxy-3-(nitrosomethyl)benzene (PubChem CID 88892699) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 1-bromo-2-methoxy-3-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-methoxy-3-(nitrosomethyl)benzene
PubChem CID88892699
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name1-bromo-2-methoxy-3-(nitrosomethyl)benzene
SMILESCOc1c(Br)cccc1CN=O
InChIInChI=1S/C8H8BrNO2/c1-12-8-6(5-10-11)3-2-4-7(8)9/h2-4H,5H2,1H3
InChIKeyQVBQAWBDSNABAF-UHFFFAOYSA-N
XLogP2.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromo-2-methoxyphenyl)propan-2-ol
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(3-bromo-2-methoxyphenyl)methyl N-tert-butylcarbamate
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(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
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CID 84808890
1,4-dibromo-2,3-dimethoxybenzene
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N-[2-(3-bromo-2-methoxyphenyl)ethyl]-3,3,3-trifluoropropanamide
CID 75391898
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3-bromo-2-methoxybenzenesulfonic acid
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1-bromo-2-methoxy-3-methylsulfanylbenzene
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CID 126971204

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-3-(nitrosomethyl)benzene?
The IUPAC name of 1-bromo-2-methoxy-3-(nitrosomethyl)benzene (CID 88892699) is 1-bromo-2-methoxy-3-(nitrosomethyl)benzene.
What is the SMILES notation for 1-bromo-2-methoxy-3-(nitrosomethyl)benzene?
The canonical SMILES for 1-bromo-2-methoxy-3-(nitrosomethyl)benzene is COc1c(Br)cccc1CN=O.
What is the InChIKey of 1-bromo-2-methoxy-3-(nitrosomethyl)benzene?
The InChIKey is QVBQAWBDSNABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-12-8-6(5-10-11)3-2-4-7(8)9/h2-4H,5H2,1H3.
What are the key properties of 1-bromo-2-methoxy-3-(nitrosomethyl)benzene?
1-bromo-2-methoxy-3-(nitrosomethyl)benzene has a molecular weight of 230.06 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-3-(nitrosomethyl)benzene is sourced from PubChem (CID 88892699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).