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123040-79-9 | 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
CAS No: 123040-79-9 Catalog No: AG000JZL MDL No:MFCD09031399
Product Description
Catalog Number:
AG000JZL
Chemical Name:
2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
CAS Number:
123040-79-9
Molecular Formula:
C10H8ClNO4
Molecular Weight:
241.6278
MDL Number:
MFCD09031399
IUPAC Name:
6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid
InChI:
InChI=1S/C10H8ClNO4/c1-12-7-3-5(11)2-6(10(14)15)9(7)16-4-8(12)13/h2-3H,4H2,1H3,(H,14,15)
InChI Key:
ZTIKBJABRWRXFK-UHFFFAOYSA-N
SMILES:
Clc1cc2N(C)C(=O)COc2c(c1)C(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.627g/mol
Monoisotopic Mass:
241.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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