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619-10-3 molecular structure
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2-chloro-5-nitrophenol

ChemBase ID: 67484
Molecular Formular: C6H4ClNO3
Molecular Mass: 173.55386
Monoisotopic Mass: 172.98797067
SMILES and InChIs

SMILES:
c1(c(ccc(c1)[N+](=O)[O-])Cl)O
Canonical SMILES:
[O-][N+](=O)c1ccc(c(c1)O)Cl
InChI:
InChI=1S/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKey:
BUMGQSCPTLELLS-UHFFFAOYSA-N

Cite this record

CBID:67484 http://www.chembase.cn/molecule-67484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-nitrophenol
IUPAC Traditional name
2-chloro-5-nitrophenol
Synonyms
2-Chloro-5-nitro-phenol
NSC 212119
2-Chloro-5-nitrophenol
4-Chloro-3-hydroxynitrobenzene
CAS Number
619-10-3
MDL Number
MFCD01571825
PubChem SID
162033219
PubChem CID
69264

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.438383  H Acceptors
H Donor LogD (pH = 5.5) 2.166778 
LogD (pH = 7.4) 1.240588  Log P 2.2137094 
Molar Refractivity 39.1642 cm3 Polarizability 14.84304 Å3
Polar Surface Area 63.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Light Brown Crystalline Solid expand Show data source
Melting Point
112-119°C expand Show data source
118-119°C expand Show data source
Hydrophobicity(logP)
2.241 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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