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67345-78-2 molecular structure
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2-chloro-4-nitrobenzohydrazide

ChemBase ID: 7534
Molecular Formular: C7H6ClN3O3
Molecular Mass: 215.59384
Monoisotopic Mass: 215.00976875
SMILES and InChIs

SMILES:
c1(c(cc(cc1)[N+](=O)[O-])Cl)C(=O)NN
Canonical SMILES:
NNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
InChI:
InChI=1S/C7H6ClN3O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,9H2,(H,10,12)
InChIKey:
XLDHQBNLMQYVBC-UHFFFAOYSA-N

Cite this record

CBID:7534 http://www.chembase.cn/molecule-7534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-nitrobenzohydrazide
IUPAC Traditional name
2-chloro-4-nitrobenzohydrazide
Synonyms
2-Chloro-4-nitrobenzhydrazide
CAS Number
67345-78-2
MDL Number
MFCD00017047
PubChem SID
160970841
PubChem CID
3685650

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
002592 external link Add to cart Please log in.
Data Source Data ID
PubChem 3685650 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.058565  H Acceptors
H Donor LogD (pH = 5.5) 1.0707846 
LogD (pH = 7.4) 1.0714225  Log P 1.0714393 
Molar Refractivity 51.75 cm3 Polarizability 18.538416 Å3
Polar Surface Area 100.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
159-162°C expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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