Home Halogens 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

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

CAS No.:
923177-83-7
Catalog Number:
AG019PYB
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
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Product Description
Catalog Number:
AG019PYB
Chemical Name:
6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CAS Number:
923177-83-7
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
MDL Number:
MFCD08444826
IUPAC Name:
6-chloro-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
InChI:
InChI=1S/C9H6ClNO4/c10-5-2-6-7(1-4(5)9(13)14)15-3-8(12)11-6/h1-2H,3H2,(H,11,12)(H,13,14)
InChI Key:
OTIAZAMJOQYITN-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(c(c2)C(=O)O)Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.999g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.6g/mol
Monoisotopic Mass:
226.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties