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Home > Thiazole > 1223748-47-7
1223748-47-7 | tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate
CAS No: 1223748-47-7 Catalog No: AG009IP4 MDL No:MFCD15072118
Product Description
Catalog Number:
AG009IP4
Chemical Name:
tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate
CAS Number:
1223748-47-7
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD15072118
IUPAC Name:
tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate
InChI:
InChI=1S/C13H14N2O3S/c1-13(2,3)18-12(17)15-11-14-10-8(7-16)5-4-6-9(10)19-11/h4-7H,1-3H3,(H,14,15,17)
InChI Key:
AJAFEUPCFVMWDG-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1[nH]c(=NC(=O)OC(C)(C)C)s2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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