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7403-75-0 molecular structure
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N-(4-hydroxy-2-nitrophenyl)acetamide

ChemBase ID: 175180
Molecular Formular: C8H8N2O4
Molecular Mass: 196.16012
Monoisotopic Mass: 196.04840675
SMILES and InChIs

SMILES:
c1c(ccc(c1[N+](=O)[O-])NC(=O)C)O
Canonical SMILES:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])O
InChI:
InChI=1S/C8H8N2O4/c1-5(11)9-7-3-2-6(12)4-8(7)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKey:
OZZKMZSOGAOIFX-UHFFFAOYSA-N

Cite this record

CBID:175180 http://www.chembase.cn/molecule-175180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxy-2-nitrophenyl)acetamide
IUPAC Traditional name
N-(4-hydroxy-2-nitrophenyl)acetamide
Synonyms
N-(4-Hydroxy-2-nitrophenyl)acetamide
1-Acetamido-4-hydroxy-2-nitrobenzene
4-Acetamido-3-nitrophenol
4'-Hydroxy-2'-nitroacetanilide
NSC 400387
3-Nitro-4-acetamidophenol
CAS Number
7403-75-0
PubChem SID
164231090
PubChem CID
4024832

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N490275 external link Add to cart
PubChem 4024832 external link
Data Source Data ID Price
TRC
N490275 external link Add to cart Please log in.
Data Source Data ID
PubChem 4024832 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.385104  H Acceptors
H Donor LogD (pH = 5.5) 0.84681356 
LogD (pH = 7.4) 0.8049189  Log P 0.84737504 
Molar Refractivity 50.2266 cm3 Polarizability 17.804365 Å3
Polar Surface Area 95.15 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
Methanol expand Show data source
Apperance
Yellow to Orange Solid expand Show data source
Melting Point
218-220°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download 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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