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1017427-47-2 molecular structure
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[5-(2-chlorophenyl)furan-2-yl]methanamine

ChemBase ID: 308592
Molecular Formular: C11H10ClNO
Molecular Mass: 207.6562
Monoisotopic Mass: 207.04509163
SMILES and InChIs

SMILES:
c1(oc(cc1)CN)c1c(Cl)cccc1
Canonical SMILES:
NCc1ccc(o1)c1ccccc1Cl
InChI:
InChI=1S/C11H10ClNO/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-6H,7,13H2
InChIKey:
QXAFMOCOHJXREB-UHFFFAOYSA-N

Cite this record

CBID:308592 http://www.chembase.cn/molecule-308592.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(2-chlorophenyl)furan-2-yl]methanamine
IUPAC Traditional name
[5-(2-chlorophenyl)furan-2-yl]methanamine
Synonyms
1-[5-(2-chlorophenyl)-2-furyl]methanamine
CAS Number
1017427-47-2
MDL Number
MFCD02854512

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4032074 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.10624666  LogD (pH = 7.4) 1.5847695 
Log P 2.330532  Molar Refractivity 56.7408 cm3
Polarizability 23.39515 Å3 Polar Surface Area 39.16 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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