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87802-05-9 | 2H-1,4-Benzoxazine-6-carboxylic acid, 3-chloro-2-oxo-, ethyl ester
CAS No: 87802-05-9 Catalog No: AG004F83 MDL No:
Product Description
Catalog Number:
AG004F83
Chemical Name:
2H-1,4-Benzoxazine-6-carboxylic acid, 3-chloro-2-oxo-, ethyl ester
CAS Number:
87802-05-9
Molecular Formula:
C11H8ClNO4
Molecular Weight:
253.6385
IUPAC Name:
ethyl 3-chloro-2-oxo-1,4-benzoxazine-6-carboxylate
InChI:
InChI=1S/C11H8ClNO4/c1-2-16-10(14)6-3-4-8-7(5-6)13-9(12)11(15)17-8/h3-5H,2H2,1H3
InChI Key:
CZOBSLFOIFGBBS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nc(c(=O)o2)Cl
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.638g/mol
Monoisotopic Mass:
253.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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