Home Carboxys 1,2-Benzisoxazole-3-carboxylicacid, 6-fluoro-

1,2-Benzisoxazole-3-carboxylicacid, 6-fluoro-

CAS No.:
894789-43-6
Catalog Number:
AG0087ZI
Molecular Formula:
C8H4FNO3
Molecular Weight:
181.1207
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Product Description
Catalog Number:
AG0087ZI
Chemical Name:
1,2-Benzisoxazole-3-carboxylicacid, 6-fluoro-
CAS Number:
894789-43-6
Molecular Formula:
C8H4FNO3
Molecular Weight:
181.1207
MDL Number:
MFCD09027539
IUPAC Name:
6-fluoro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H4FNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChI Key:
HROCHLQLWNRYQX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)onc2C(=O)O
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.018g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.122g/mol
Monoisotopic Mass:
181.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties