Home Carboxys 7-fluoro-1,2-benzoxazole-3-carboxylic acid

7-fluoro-1,2-benzoxazole-3-carboxylic acid

CAS No.:
894789-51-6
Catalog Number:
AG01B7BC
Molecular Formula:
C8H4FNO3
Molecular Weight:
181.1207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B7BC
Chemical Name:
7-fluoro-1,2-benzoxazole-3-carboxylic acid
CAS Number:
894789-51-6
Molecular Formula:
C8H4FNO3
Molecular Weight:
181.1207
MDL Number:
MFCD20659044
IUPAC Name:
7-fluoro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H4FNO3/c9-5-3-1-2-4-6(8(11)12)10-13-7(4)5/h1-3H,(H,11,12)
InChI Key:
SALREZVATWXFST-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc2c1cccc2F
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