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1955498-42-6

1955498-42-6 | tert-butyl N-(2-formyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamate

CAS No: 1955498-42-6 Catalog No: AG01B1UV MDL No:MFCD29763475

Product Description

Catalog Number:
AG01B1UV
Chemical Name:
tert-butyl N-(2-formyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamate
CAS Number:
1955498-42-6
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD29763475
IUPAC Name:
tert-butyl N-(2-formyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamate
InChI:
InChI=1S/C13H18N2O3S/c1-13(2,3)18-12(17)14-8-4-5-9-10(6-8)19-11(7-16)15-9/h7-8H,4-6H2,1-3H3,(H,14,17)
InChI Key:
OHCJVPLSIIRYCU-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)CC(CC2)NC(=O)OC(C)(C)C

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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