Home Other Building Blocks 6,7-difluoro-1,2-benzoxazol-3-ol

6,7-difluoro-1,2-benzoxazol-3-ol

CAS No.:
1223451-39-5
Catalog Number:
AG01BW5A
Molecular Formula:
C7H3F2NO2
Molecular Weight:
171.1010
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Product Description
Catalog Number:
AG01BW5A
Chemical Name:
6,7-difluoro-1,2-benzoxazol-3-ol
CAS Number:
1223451-39-5
Molecular Formula:
C7H3F2NO2
Molecular Weight:
171.1010
MDL Number:
MFCD31652413
IUPAC Name:
6,7-difluoro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H3F2NO2/c8-4-2-1-3-6(5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
InChI Key:
LUHYHQPKGCDPFB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1F)o[nH]c2=O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.103g/mol
Monoisotopic Mass:
171.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties