Home Halogens 1-(5-bromo-1,3-benzoxazol-7-yl)ethan-1-ol

1-(5-bromo-1,3-benzoxazol-7-yl)ethan-1-ol

CAS No.:
1225879-57-1
Catalog Number:
AG01ACZ6
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
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Product Description
Catalog Number:
AG01ACZ6
Chemical Name:
1-(5-bromo-1,3-benzoxazol-7-yl)ethan-1-ol
CAS Number:
1225879-57-1
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD16482907
IUPAC Name:
1-(5-bromo-1,3-benzoxazol-7-yl)ethanol
InChI:
InChI=1S/C9H8BrNO2/c1-5(12)7-2-6(10)3-8-9(7)13-4-11-8/h2-5,12H,1H3
InChI Key:
YUXPAHWQIBSTSX-UHFFFAOYSA-N
SMILES:
Brc1cc(C(O)C)c2c(c1)nco2
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties