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56108-05-5 molecular structure
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[(4-fluorophenyl)(methoxy)methylidene]azanylium chloride

ChemBase ID: 802425
Molecular Formular: C8H7ClFNO
Molecular Mass: 187.5986832
Monoisotopic Mass: 187.02001975
SMILES and InChIs

SMILES:
C(=[N+])(OC)c1ccc(cc1)F.[Cl-]
Canonical SMILES:
COC(=[N+])c1ccc(cc1)F.[Cl-]
InChI:
InChI=1S/C8H7FNO.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,1H3;1H/q+1;/p-1
InChIKey:
MYSPSLGCUVKOEP-UHFFFAOYSA-M

Cite this record

CBID:802425 http://www.chembase.cn/molecule-802425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)(methoxy)methylidene]azanylium chloride
IUPAC Traditional name
[(4-fluorophenyl)(methoxy)methylidene]azanylium chloride
Synonyms
(4-FLUOROPHENYL)(METHOXY)METHANIMINIUM CHLORIDE
CAS Number
56108-05-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18905 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18905 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7453258  LogD (pH = 7.4) 1.7453258 
Log P 1.7453258  Molar Refractivity 38.5686 cm3
Polarizability 14.782595 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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