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1000575-43-8

1000575-43-8 | Methyl 4-bromo-2-(thiophen-2-ylsulfonyl)thiazole-5-carboxylate

CAS No: 1000575-43-8 Catalog No: AG01F63U MDL No:

Product Description

Catalog Number:
AG01F63U
Chemical Name:
Methyl 4-bromo-2-(thiophen-2-ylsulfonyl)thiazole-5-carboxylate
CAS Number:
1000575-43-8
Molecular Formula:
C9H6BrNO4S3
Molecular Weight:
368.2472
IUPAC Name:
methyl 4-bromo-2-thiophen-2-ylsulfonyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H6BrNO4S3/c1-15-8(12)6-7(10)11-9(17-6)18(13,14)5-3-2-4-16-5/h2-4H,1H3
InChI Key:
ODFVAQGQANGMJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Br)S(=O)(=O)c1cccs1

Properties

Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.864g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.234g/mol
Monoisotopic Mass:
366.864g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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