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878416-71-8 | 2-Bromo-N-(4-ethyl-5-methyl-thiazol-2-yl)-propionamide
CAS No: 878416-71-8 Catalog No: AG01EY46 MDL No:
Product Description
Catalog Number:
AG01EY46
Chemical Name:
2-Bromo-N-(4-ethyl-5-methyl-thiazol-2-yl)-propionamide
CAS Number:
878416-71-8
Molecular Formula:
C9H13BrN2OS
Molecular Weight:
277.1813
IUPAC Name:
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
InChI:
InChI=1S/C9H13BrN2OS/c1-4-7-6(3)14-9(11-7)12-8(13)5(2)10/h5H,4H2,1-3H3,(H,11,12,13)
InChI Key:
QZUBVHBFBZKVBI-UHFFFAOYSA-N
SMILES:
CCc1nc(sc1C)NC(=O)C(Br)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.993g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.18g/mol
Monoisotopic Mass:
275.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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