Home Carboxys 7-fluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

7-fluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

CAS No.:
443955-36-0
Catalog Number:
AG01EK9M
Molecular Formula:
C9H6FNO4
Molecular Weight:
211.1466
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Product Description
Catalog Number:
AG01EK9M
Chemical Name:
7-fluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CAS Number:
443955-36-0
Molecular Formula:
C9H6FNO4
Molecular Weight:
211.1466
MDL Number:
MFCD24496948
IUPAC Name:
7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
InChI:
InChI=1S/C9H6FNO4/c10-5-2-7-6(1-4(5)9(13)14)11-8(12)3-15-7/h1-2H,3H2,(H,11,12)(H,13,14)
InChI Key:
RWZKLTNQQDJZKY-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(c(c2)F)C(=O)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.148g/mol
Monoisotopic Mass:
211.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties