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2370-44-7 molecular structure
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2-[(3-chloro-4-fluorophenyl)amino]acetohydrazide

ChemBase ID: 44199
Molecular Formular: C8H9ClFN3O
Molecular Mass: 217.6279632
Monoisotopic Mass: 217.04181782
SMILES and InChIs

SMILES:
C(=O)(NN)CNc1cc(c(cc1)F)Cl
Canonical SMILES:
NNC(=O)CNc1ccc(c(c1)Cl)F
InChI:
InChI=1S/C8H9ClFN3O/c9-6-3-5(1-2-7(6)10)12-4-8(14)13-11/h1-3,12H,4,11H2,(H,13,14)
InChIKey:
KVTCQXCNZAAMDB-UHFFFAOYSA-N

Cite this record

CBID:44199 http://www.chembase.cn/molecule-44199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-chloro-4-fluorophenyl)amino]acetohydrazide
IUPAC Traditional name
2-[(3-chloro-4-fluorophenyl)amino]acetohydrazide
Synonyms
2-(3-Chloro-4-fluoroanilino)acetohydrazide
2-(3-chloro-4-fluoroanilino)acetohydrazide
N-(3-Chloro-4-fluorophenyl)glycinehydrazide
CAS Number
2370-44-7
MDL Number
MFCD03788387
PubChem SID
162048962
PubChem CID
302641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 302641 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.021295  H Acceptors
H Donor LogD (pH = 5.5) 0.566206 
LogD (pH = 7.4) 0.5672276  Log P 0.56733555 
Molar Refractivity 53.6639 cm3 Polarizability 19.482674 Å3
Polar Surface Area 67.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
99 - 100 °C expand Show data source
99-100°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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