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MFCD00143293 molecular structure
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(4-chloro-3-fluorophenyl)methanamine hydrochloride

ChemBase ID: 100009
Molecular Formular: C7H8Cl2FN
Molecular Mass: 196.0495232
Monoisotopic Mass: 195.00178284
SMILES and InChIs

SMILES:
NCc1cc(c(cc1)Cl)F.Cl
Canonical SMILES:
NCc1ccc(c(c1)F)Cl.Cl
InChI:
InChI=1S/C7H7ClFN.ClH/c8-6-2-1-5(4-10)3-7(6)9;/h1-3H,4,10H2;1H
InChIKey:
SZEIBCAEFIKNJV-UHFFFAOYSA-N

Cite this record

CBID:100009 http://www.chembase.cn/molecule-100009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chloro-3-fluorophenyl)methanamine hydrochloride
IUPAC Traditional name
(4-chloro-3-fluorophenyl)methanamine hydrochloride
Synonyms
4-Chloro-3-fluorobenzylamine hydrochloride 98%
MDL Number
MFCD00143293
PubChem SID
162086482
PubChem CID
2773620

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC8149 external link Add to cart Please log in.
Data Source Data ID
PubChem 2773620 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1169655  LogD (pH = 7.4) -0.017095048 
Log P 1.8457608  Molar Refractivity 39.5526 cm3
Polarizability 15.2721615 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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