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152367-89-0 molecular structure
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2-amino-4-fluorobenzaldehyde

ChemBase ID: 180411
Molecular Formular: C7H6FNO
Molecular Mass: 139.1270432
Monoisotopic Mass: 139.04334204
SMILES and InChIs

SMILES:
C(=O)c1c(cc(cc1)F)N
Canonical SMILES:
O=Cc1ccc(cc1N)F
InChI:
InChI=1S/C7H6FNO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,9H2
InChIKey:
KTVIOYDHBGVZSL-UHFFFAOYSA-N

Cite this record

CBID:180411 http://www.chembase.cn/molecule-180411.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-fluorobenzaldehyde
IUPAC Traditional name
2-amino-4-fluorobenzaldehyde
Synonyms
2-Amino-4-fluorobenzaldehyde
CAS Number
152367-89-0
PubChem SID
164236321
PubChem CID
18184126

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18184126 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.25217  H Acceptors
H Donor LogD (pH = 5.5) 1.6494944 
LogD (pH = 7.4) 1.6495237  Log P 1.6495241 
Molar Refractivity 37.5588 cm3 Polarizability 13.068512 Å3
Polar Surface Area 43.09 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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