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907211-97-6 molecular structure
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6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine

ChemBase ID: 797508
Molecular Formular: C12H13FN2
Molecular Mass: 204.2434232
Monoisotopic Mass: 204.10627665
SMILES and InChIs

SMILES:
c1c(cc2c(c1)[nH]c1CC(CCc21)N)F
Canonical SMILES:
NC1CCc2c(C1)[nH]c1c2cc(cc1)F
InChI:
InChI=1S/C12H13FN2/c13-7-1-4-11-10(5-7)9-3-2-8(14)6-12(9)15-11/h1,4-5,8,15H,2-3,6,14H2
InChIKey:
UATQZSAVSKJWPR-UHFFFAOYSA-N

Cite this record

CBID:797508 http://www.chembase.cn/molecule-797508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine
IUPAC Traditional name
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine
Synonyms
6-fluoro-2,3,4,9-tetrahydro-1H-Carbazol-2-aMine
CAS Number
907211-97-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.148817  H Acceptors
H Donor LogD (pH = 5.5) -1.1580123 
LogD (pH = 7.4) -0.70165765  Log P 1.8646632 
Molar Refractivity 58.158 cm3 Polarizability 23.189526 Å3
Polar Surface Area 41.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
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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