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1221931-40-3

1221931-40-3 | Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-chloro-6,7-dihydro-, 1,1-dimethylethyl ester

CAS No: 1221931-40-3 Catalog No: AG0016WC MDL No:

Product Description

Catalog Number:
AG0016WC
Chemical Name:
Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-chloro-6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1221931-40-3
Molecular Formula:
C11H15ClN2O2S
Molecular Weight:
274.7670
IUPAC Name:
tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
InChI:
InChI=1S/C11H15ClN2O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3
InChI Key:
PVRYZNJYTDBLDW-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(n2)Cl)OC(C)(C)C

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.054g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.763g/mol
Monoisotopic Mass:
274.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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