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59142-68-6 molecular structure
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2-bromo-4-fluorobenzaldehyde

ChemBase ID: 13788
Molecular Formular: C7H4BrFO
Molecular Mass: 203.0084632
Monoisotopic Mass: 201.94295497
SMILES and InChIs

SMILES:
c1c(cc(c(c1)C=O)Br)F
Canonical SMILES:
O=Cc1ccc(cc1Br)F
InChI:
InChI=1S/C7H4BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey:
OPZDXMCOWFPQPE-UHFFFAOYSA-N

Cite this record

CBID:13788 http://www.chembase.cn/molecule-13788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-fluorobenzaldehyde
IUPAC Traditional name
2-bromo-4-fluorobenzaldehyde
Synonyms
2-Bromo-4-fluorobenzaldehyde
CAS Number
59142-68-6
MDL Number
MFCD00672923
PubChem SID
160977095
PubChem CID
2773319

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5972028  LogD (pH = 7.4) 2.5972028 
Log P 2.5972028  Molar Refractivity 40.4812 cm3
Polarizability 14.92234 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
64°C expand Show data source
65-68°C expand Show data source
Hydrophobicity(logP)
2.667 expand Show data source
Storage Warning
IRRITANT, LIGHT SENSITIVE expand Show data source
Irritant/Light Sensitive/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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