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878416-76-3

878416-76-3 | 2-Bromo-N-(4,5-dimethyl-thiazol-2-yl)-propionamide

CAS No: 878416-76-3 Catalog No: AG01EY47 MDL No:

Product Description

Catalog Number:
AG01EY47
Chemical Name:
2-Bromo-N-(4,5-dimethyl-thiazol-2-yl)-propionamide
CAS Number:
878416-76-3
Molecular Formula:
C8H11BrN2OS
Molecular Weight:
263.1547
IUPAC Name:
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
InChI:
InChI=1S/C8H11BrN2OS/c1-4(9)7(12)11-8-10-5(2)6(3)13-8/h4H,1-3H3,(H,10,11,12)
InChI Key:
KIFXPURZIDSQOU-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1sc(c(n1)C)C)Br

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.978g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.153g/mol
Monoisotopic Mass:
261.978g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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