Home Halogens methyl 2-((tert-butoxycarbonyl)amino)-4-chlorothiazole-5-carboxylate

methyl 2-((tert-butoxycarbonyl)amino)-4-chlorothiazole-5-carboxylate

CAS No.:
804482-36-8
Catalog Number:
AG01DJ7N
Molecular Formula:
C10H13ClN2O4S
Molecular Weight:
292.7392
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Product Description
Catalog Number:
AG01DJ7N
Chemical Name:
methyl 2-((tert-butoxycarbonyl)amino)-4-chlorothiazole-5-carboxylate
CAS Number:
804482-36-8
Molecular Formula:
C10H13ClN2O4S
Molecular Weight:
292.7392
MDL Number:
MFCD24476504
IUPAC Name:
methyl 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C10H13ClN2O4S/c1-10(2,3)17-9(15)13-8-12-6(11)5(18-8)7(14)16-4/h1-4H3,(H,12,13,15)
InChI Key:
LLFPBHPPKRRNMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.028g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
292.734g/mol
Monoisotopic Mass:
292.028g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties