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141761-85-5 | 2H-1,4-Benzoxazine-8-carboxylic acid, 6-bromo-3,4-dihydro-3-oxo-, methyl ester
CAS No: 141761-85-5 Catalog No: AG001GZQ MDL No:MFCD12196467
Product Description
Catalog Number:
AG001GZQ
Chemical Name:
2H-1,4-Benzoxazine-8-carboxylic acid, 6-bromo-3,4-dihydro-3-oxo-, methyl ester
CAS Number:
141761-85-5
Molecular Formula:
C10H8BrNO4
Molecular Weight:
286.0788
MDL Number:
MFCD12196467
IUPAC Name:
methyl 6-bromo-3-oxo-4H-1,4-benzoxazine-8-carboxylate
InChI:
InChI=1S/C10H8BrNO4/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:
FJLFERASKAOESO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1OCC(=O)N2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.081g/mol
Monoisotopic Mass:
284.964g/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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