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1203499-43-7 molecular structure
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tert-butyl N-(3,4-dichloropyridin-2-yl)carbamate

ChemBase ID: 50524
Molecular Formular: C10H12Cl2N2O2
Molecular Mass: 263.12048
Monoisotopic Mass: 262.02758299
SMILES and InChIs

SMILES:
c1cnc(c(c1Cl)Cl)NC(=O)OC(C)(C)C
Canonical SMILES:
O=C(Nc1nccc(c1Cl)Cl)OC(C)(C)C
InChI:
InChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey:
GOYRULDGADITLD-UHFFFAOYSA-N

Cite this record

CBID:50524 http://www.chembase.cn/molecule-50524.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(3,4-dichloropyridin-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(3,4-dichloropyridin-2-yl)carbamate
Synonyms
tert-Butyl 3,4-dichloropyridin-2-ylcarbamate
tert-Butyl 3,4-dichloropyridin-2-ylcarbamate
CAS Number
1203499-43-7
MDL Number
MFCD13563037
PubChem SID
162055287
PubChem CID
46318089

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.539771  H Acceptors
H Donor LogD (pH = 5.5) 3.4690547 
LogD (pH = 7.4) 3.469078  Log P 3.4690814 
Molar Refractivity 64.1164 cm3 Polarizability 24.447908 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
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
97% expand Show data source
Empirical Formula (Hill Notation)
C10H12Cl2N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000671 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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