Home Halogens 2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl}amino)ethan-1-ol

2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl}amino)ethan-1-ol

CAS No.:
1803607-76-2
Catalog Number:
AG01AD5V
Molecular Formula:
C12H13BrN2OS
Molecular Weight:
313.2134
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Product Description
Catalog Number:
AG01AD5V
Chemical Name:
2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl}amino)ethan-1-ol
CAS Number:
1803607-76-2
Molecular Formula:
C12H13BrN2OS
Molecular Weight:
313.2134
MDL Number:
MFCD26936264
IUPAC Name:
2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methylamino]ethanol
InChI:
InChI=1S/C12H13BrN2OS/c13-10-3-1-2-9(6-10)11-8-17-12(15-11)7-14-4-5-16/h1-3,6,8,14,16H,4-5,7H2
InChI Key:
QBMJRVKNGHKVHS-UHFFFAOYSA-N
SMILES:
OCCNCc1scc(n1)c1cccc(c1)Br
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.993g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.213g/mol
Monoisotopic Mass:
311.993g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties