1-bromo-3,4-dimethyl-2-nitrosobenzene

C8H8BrNO — CID 174861942

IUPAC1-bromo-3,4-dimethyl-2-nitrosobenzene
SMILESCc1ccc(Br)c(N=O)c1C
InChIInChI=1S/C8H8BrNO/c1-5-3-4-7(9)8(10-11)6(5)2/h3-4H,1-2H3
InChIKeyHEDZZCHOADJMRY-UHFFFAOYSA-N
MW214.06 g/mol
LogP3.46
Rot. Bonds1

About 1-bromo-3,4-dimethyl-2-nitrosobenzene

1-bromo-3,4-dimethyl-2-nitrosobenzene (PubChem CID 174861942) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 1-bromo-3,4-dimethyl-2-nitrosobenzene.

Molecular Properties

Compound Name1-bromo-3,4-dimethyl-2-nitrosobenzene
PubChem CID174861942
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name1-bromo-3,4-dimethyl-2-nitrosobenzene
SMILESCc1ccc(Br)c(N=O)c1C
InChIInChI=1S/C8H8BrNO/c1-5-3-4-7(9)8(10-11)6(5)2/h3-4H,1-2H3
InChIKeyHEDZZCHOADJMRY-UHFFFAOYSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-2-nitrosobenzaldehyde
CID 54179855
1-bromo-2-ethyl-3,4-dimethylbenzene
CID 141218396
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
tris(6-bromo-2,3-dimethylphenyl) phosphate
CID 70632464
4-bromo-3-fluoro-N-methyl-2-nitrosoaniline
CID 162735848
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
3-bromo-2,6-dimethylphenol;ethane
CID 142823645
1,5-dibromo-4,8-dimethylanthracene-9,10-dione
CID 158328255
(6-bromo-2,3-dimethylphenoxy)-trimethylsilane
CID 167731755
2-amino-6-bromo-3-methylbenzoic acid
CID 43629002
1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 84708836
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dimethyl-2-nitrosobenzene?
The IUPAC name of 1-bromo-3,4-dimethyl-2-nitrosobenzene (CID 174861942) is 1-bromo-3,4-dimethyl-2-nitrosobenzene.
What is the SMILES notation for 1-bromo-3,4-dimethyl-2-nitrosobenzene?
The canonical SMILES for 1-bromo-3,4-dimethyl-2-nitrosobenzene is Cc1ccc(Br)c(N=O)c1C.
What is the InChIKey of 1-bromo-3,4-dimethyl-2-nitrosobenzene?
The InChIKey is HEDZZCHOADJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5-3-4-7(9)8(10-11)6(5)2/h3-4H,1-2H3.
What are the key properties of 1-bromo-3,4-dimethyl-2-nitrosobenzene?
1-bromo-3,4-dimethyl-2-nitrosobenzene has a molecular weight of 214.06 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dimethyl-2-nitrosobenzene is sourced from PubChem (CID 174861942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).