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391668-77-2 | (5-Formyl-thiazol-2-yl)-carbamic acid tert-butyl ester
CAS No: 391668-77-2 Catalog No: AG00C72M MDL No:MFCD09834789
Product Description
Catalog Number:
AG00C72M
Chemical Name:
(5-Formyl-thiazol-2-yl)-carbamic acid tert-butyl ester
CAS Number:
391668-77-2
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD09834789
IUPAC Name:
tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate
InChI:
InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-4-6(5-12)15-7/h4-5H,1-3H3,(H,10,11,13)
InChI Key:
LKFCHUSAPKBABQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)NC(=O)OC(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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