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202865-65-4 molecular structure
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N-[(5-bromo-2-fluorophenyl)methylidene]hydroxylamine

ChemBase ID: 99597
Molecular Formular: C7H5BrFNO
Molecular Mass: 218.0231032
Monoisotopic Mass: 216.95385401
SMILES and InChIs

SMILES:
N(=C\c1c(ccc(c1)Br)F)/O
Canonical SMILES:
O/N=C/c1cc(Br)ccc1F
InChI:
InChI=1S/C7H5BrFNO/c8-6-1-2-7(9)5(3-6)4-10-11/h1-4,11H
InChIKey:
JXINJMATTXHEET-UHFFFAOYSA-N

Cite this record

CBID:99597 http://www.chembase.cn/molecule-99597.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(5-bromo-2-fluorophenyl)methylidene]hydroxylamine
IUPAC Traditional name
N-[(5-bromo-2-fluorophenyl)methylidene]hydroxylamine
Synonyms
5-Bromo-2-fluorobenzaldoxime
CAS Number
202865-65-4
MDL Number
MFCD00143422
PubChem SID
162085860
PubChem CID
9582085

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC7369 external link Add to cart Please log in.
Data Source Data ID
PubChem 9582085 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.707916  H Acceptors
H Donor LogD (pH = 5.5) 2.604008 
LogD (pH = 7.4) 2.4337718  Log P 2.6066825 
Molar Refractivity 44.3029 cm3 Polarizability 16.285278 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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