bromobenzene;formaldehyde

C13H12Br2O — CID 175054829

IUPACbromobenzene;formaldehyde
SMILESBrc1ccccc1.Brc1ccccc1.C=O
InChIInChI=1S/2C6H5Br.CH2O/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5H;1H2
InChIKeyWHZRBBLZUREUMY-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.71
Rot. Bonds

About bromobenzene;formaldehyde

bromobenzene;formaldehyde (PubChem CID 175054829) has the molecular formula C13H12Br2O and a molecular weight of 344.05 g/mol. Its IUPAC name is bromobenzene;formaldehyde.

Molecular Properties

Compound Namebromobenzene;formaldehyde
PubChem CID175054829
Molecular FormulaC13H12Br2O
Molecular Weight344.05 g/mol
Exact Mass341.93
IUPAC Namebromobenzene;formaldehyde
SMILESBrc1ccccc1.Brc1ccccc1.C=O
InChIInChI=1S/2C6H5Br.CH2O/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5H;1H2
InChIKeyWHZRBBLZUREUMY-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
CID 45052166
CID 45052166
bromobenzene;hydroiodide
CID 161399395
CID 159525408
CID 159525408
bromobenzene;trihydrofluoride
CID 173004651
bromobenzene;hydrofluoride
CID 158803829
cesium;bromobenzene;hydride
CID 174679233
bromobenzene;prop-2-enal
CID 157341458
bromobenzene;cyclohexa-2,5-diene-1,4-dione
CID 174480452
bromobenzene;prop-1-ene
CID 159947245
acetaldehyde;bromobenzene;ethane
CID 90828372

Frequently Asked Questions

What is the IUPAC name of bromobenzene;formaldehyde?
The IUPAC name of bromobenzene;formaldehyde (CID 175054829) is bromobenzene;formaldehyde.
What is the SMILES notation for bromobenzene;formaldehyde?
The canonical SMILES for bromobenzene;formaldehyde is Brc1ccccc1.Brc1ccccc1.C=O.
What is the InChIKey of bromobenzene;formaldehyde?
The InChIKey is WHZRBBLZUREUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5Br.CH2O/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5H;1H2.
What are the key properties of bromobenzene;formaldehyde?
bromobenzene;formaldehyde has a molecular weight of 344.05 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;formaldehyde is sourced from PubChem (CID 175054829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).