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6526-67-6 molecular structure
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2-chloro-N,N-dimethylbenzamide

ChemBase ID: 301091
Molecular Formular: C9H10ClNO
Molecular Mass: 183.6348
Monoisotopic Mass: 183.04509163
SMILES and InChIs

SMILES:
CN(C)C(=O)c1ccccc1Cl
Canonical SMILES:
CN(C(=O)c1ccccc1Cl)C
InChI:
InChI=1S/C9H10ClNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
InChIKey:
SZUQPOLAEFBJJH-UHFFFAOYSA-N

Cite this record

CBID:301091 http://www.chembase.cn/molecule-301091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N,N-dimethylbenzamide
IUPAC Traditional name
2-chloro-N,N-dimethylbenzamide
Synonyms
2-Chloro-N,N-dimethylbenzamide
CAS Number
6526-67-6
MDL Number
MFCD00463636

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8752829  LogD (pH = 7.4) 1.8752829 
Log P 1.8752829  Molar Refractivity 49.7346 cm3
Polarizability 18.735708 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
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-P501 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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