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116200-99-8 | Butanamide, 2-bromo-N-2-thiazolyl-
CAS No: 116200-99-8 Catalog No: AG000BVI MDL No:MFCD08670219
Product Description
Catalog Number:
AG000BVI
Chemical Name:
Butanamide, 2-bromo-N-2-thiazolyl-
CAS Number:
116200-99-8
Molecular Formula:
C7H9BrN2OS
Molecular Weight:
249.1282
MDL Number:
MFCD08670219
IUPAC Name:
2-bromo-N-(1,3-thiazol-2-yl)butanamide
InChI:
InChI=1S/C7H9BrN2OS/c1-2-5(8)6(11)10-7-9-3-4-12-7/h3-5H,2H2,1H3,(H,9,10,11)
InChI Key:
AKJINHVPVKYWNC-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1nccs1)Br
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.962g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.126g/mol
Monoisotopic Mass:
247.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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