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121565-03-5 | 4H-1,4-Benzoxazine-4-acetic acid, 6-bromo-2,3-dihydro-8-methyl-3-oxo-, ethyl ester
CAS No: 121565-03-5 Catalog No: AG0015AD MDL No:
Product Description
Catalog Number:
AG0015AD
Chemical Name:
4H-1,4-Benzoxazine-4-acetic acid, 6-bromo-2,3-dihydro-8-methyl-3-oxo-, ethyl ester
CAS Number:
121565-03-5
Molecular Formula:
C13H14BrNO4
Molecular Weight:
328.1586
IUPAC Name:
ethyl 2-(6-bromo-8-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
InChI:
InChI=1S/C13H14BrNO4/c1-3-18-12(17)6-15-10-5-9(14)4-8(2)13(10)19-7-11(15)16/h4-5H,3,6-7H2,1-2H3
InChI Key:
AEAGBEWRNIFMFJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1C(=O)COc2c1cc(Br)cc2C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.162g/mol
Monoisotopic Mass:
327.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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