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368-83-2 molecular structure
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N-{[3-(trifluoromethyl)phenyl]methylidene}hydroxylamine

ChemBase ID: 99655
Molecular Formular: C8H6F3NO
Molecular Mass: 189.1345496
Monoisotopic Mass: 189.04014848
SMILES and InChIs

SMILES:
N(=C\c1cc(ccc1)C(F)(F)F)/O
Canonical SMILES:
O/N=C/c1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-2-6(4-7)5-12-13/h1-5,13H
InChIKey:
GIONPAPDKZQLTK-UHFFFAOYSA-N

Cite this record

CBID:99655 http://www.chembase.cn/molecule-99655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[3-(trifluoromethyl)phenyl]methylidene}hydroxylamine
IUPAC Traditional name
N-{[3-(trifluoromethyl)phenyl]methylidene}hydroxylamine
Synonyms
3-(Trifluoromethyl)benzaldoxime 97%
CAS Number
368-83-2
MDL Number
MFCD00033235
PubChem SID
162085918
PubChem CID
9582164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC7504 external link Add to cart Please log in.
Data Source Data ID
PubChem 9582164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0843897  H Acceptors
H Donor LogD (pH = 5.5) 2.5619414 
LogD (pH = 7.4) 2.0899398  Log P 2.5730765 
Molar Refractivity 42.4374 cm3 Polarizability 14.820179 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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