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55578-79-5 molecular structure
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2-(furan-2-yl)aniline

ChemBase ID: 92860
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
Nc1ccccc1c1ccco1
Canonical SMILES:
Nc1ccccc1c1ccco1
InChI:
InChI=1S/C10H9NO/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H,11H2
InChIKey:
RQBZXUOVNFIZGW-UHFFFAOYSA-N

Cite this record

CBID:92860 http://www.chembase.cn/molecule-92860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-2-yl)aniline
IUPAC Traditional name
2-(furan-2-yl)aniline
Synonyms
2-(2-furyl)aniline
2-(Fur-2-yl)aniline 97%
CAS Number
55578-79-5
MDL Number
MFCD04039070
PubChem SID
162079558
PubChem CID
4685350

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4685350 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8504299  LogD (pH = 7.4) 1.8517747 
Log P 1.8517919  Molar Refractivity 48.2855 cm3
Polarizability 19.331669 Å3 Polar Surface Area 39.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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