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123040-45-9 | 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-3-oxo-
CAS No: 123040-45-9 Catalog No: AG000JZP MDL No:
Product Description
Catalog Number:
AG000JZP
Chemical Name:
2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-3-oxo-
CAS Number:
123040-45-9
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
IUPAC Name:
6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
InChI:
InChI=1S/C9H6ClNO4/c10-4-1-5(9(13)14)8-6(2-4)11-7(12)3-15-8/h1-2H,3H2,(H,11,12)(H,13,14)
InChI Key:
OHIMCPSGEWFLBU-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2C(=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
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