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10147-70-3 molecular structure
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2-chloro-N-(2-nitrophenyl)acetamide

ChemBase ID: 26927
Molecular Formular: C8H7ClN2O3
Molecular Mass: 214.60578
Monoisotopic Mass: 214.01451977
SMILES and InChIs

SMILES:
c1c(c(ccc1)[N+](=O)[O-])NC(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKey:
XXWVCPLQFJVURO-UHFFFAOYSA-N

Cite this record

CBID:26927 http://www.chembase.cn/molecule-26927.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2-nitrophenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2-nitrophenyl)acetamide
Synonyms
2-Chloro-N-(2-nitrophenyl)acetamide
alpha-Chloro-2-nitroacetanilide
2-Chloro-N-(nitrophenyl)acetamide
2-Nitro-N-(chloroacetyl)aniline
N-Chloroacetyl-2-nitroaniline
2-Chloro-2'-nitroacetanilide
2-氯-2'-硝基乙酰苯胺
CAS Number
10147-70-3
MDL Number
MFCD00024201
PubChem SID
160990234
PubChem CID
222443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.760171  H Acceptors
H Donor LogD (pH = 5.5) 1.6882819 
LogD (pH = 7.4) 1.6881042  Log P 1.6882842 
Molar Refractivity 51.9947 cm3 Polarizability 19.043354 Å3
Polar Surface Area 72.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
87-89°C expand Show data source
88 - 89 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
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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