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354503-86-9 molecular structure
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tert-butyl N-(5-chloropyridin-2-yl)carbamate

ChemBase ID: 802740
Molecular Formular: C10H13ClN2O2
Molecular Mass: 228.67542
Monoisotopic Mass: 228.06655535
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)c1ncc(cc1)Cl
Canonical SMILES:
O=C(OC(C)(C)C)Nc1ccc(cn1)Cl
InChI:
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey:
CEZBERPWXUYBQB-UHFFFAOYSA-N

Cite this record

CBID:802740 http://www.chembase.cn/molecule-802740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(5-chloropyridin-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(5-chloropyridin-2-yl)carbamate
Synonyms
TERT-BUTYL 5-CHLOROPYRIDIN-2-YLCARBAMATE
CAS Number
354503-86-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19266 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19266 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 2.8650367  Molar Refractivity 59.3116 cm3
Polarizability 22.46115 Å3 Polar Surface Area 51.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 12.914533  H Acceptors
H Donor LogD (pH = 5.5) 2.864968 
LogD (pH = 7.4) 2.8650346 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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