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56108-07-7 molecular structure
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[(3-chlorophenyl)(methoxy)methylidene]azanylium chloride

ChemBase ID: 802427
Molecular Formular: C8H7Cl2NO
Molecular Mass: 204.05328
Monoisotopic Mass: 202.99046921
SMILES and InChIs

SMILES:
C(=[N+])(OC)c1cc(ccc1)Cl.[Cl-]
Canonical SMILES:
COC(=[N+])c1cccc(c1)Cl.[Cl-]
InChI:
InChI=1S/C8H7ClNO.ClH/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-5H,1H3;1H/q+1;/p-1
InChIKey:
ZHHURPFFYTZVLN-UHFFFAOYSA-M

Cite this record

CBID:802427 http://www.chembase.cn/molecule-802427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-chlorophenyl)(methoxy)methylidene]azanylium chloride
IUPAC Traditional name
[(3-chlorophenyl)(methoxy)methylidene]azanylium chloride
Synonyms
(3-CHLOROPHENYL)(METHOXY)METHANIMINIUM CHLORIDE
CAS Number
56108-07-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18907 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18907 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) 2.1238258  LogD (pH = 7.4) 2.1238258 
Log P 2.1238258  Molar Refractivity 43.157 cm3
Polarizability 16.975613 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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