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123040-75-5 | 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester
CAS No: 123040-75-5 Catalog No: AG000JZM MDL No:MFCD09952404
Product Description
Catalog Number:
AG000JZM
Chemical Name:
2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester
CAS Number:
123040-75-5
Molecular Formula:
C10H8ClNO4
Molecular Weight:
241.6278
MDL Number:
MFCD09952404
IUPAC Name:
methyl 6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxylate
InChI:
InChI=1S/C10H8ClNO4/c1-15-10(14)6-2-5(11)3-7-9(6)16-4-8(13)12-7/h2-3H,4H2,1H3,(H,12,13)
InChI Key:
GDSWKMQEDQRHLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc2c1OCC(=O)N2
EC Number:
602-915-6
Properties
Complexity:
309
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:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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