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6639-32-3 molecular structure
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2,4-dichlorophenyl N,N-dimethylcarbamate

ChemBase ID: 109980
Molecular Formular: C9H9Cl2NO2
Molecular Mass: 234.07926
Monoisotopic Mass: 233.00103389
SMILES and InChIs

SMILES:
CN(C)C(=O)Oc1ccc(Cl)cc1Cl
Canonical SMILES:
Clc1ccc(c(c1)Cl)OC(=O)N(C)C
InChI:
InChI=1S/C9H9Cl2NO2/c1-12(2)9(13)14-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKey:
ZYYOAHAWVWGMJY-UHFFFAOYSA-N

Cite this record

CBID:109980 http://www.chembase.cn/molecule-109980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichlorophenyl N,N-dimethylcarbamate
IUPAC Traditional name
2,4-dichlorophenyl N,N-dimethylcarbamate
Synonyms
N,N-DIMETHYL-2,4-DICHLOROPHENYL CARBAMATE
CAS Number
6639-32-3
PubChem SID
162095696
PubChem CID
226043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05213273 external link Add to cart Please log in.
Data Source Data ID
PubChem 226043 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9024026  LogD (pH = 7.4) 2.9024026 
Log P 2.9024026  Molar Refractivity 55.2701 cm3
Polarizability 21.589266 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213273 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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