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139605-37-1 | 4H-1,4-Benzoxazine-4-acetic acid, 7-chloro-2,3-dihydro-3-oxo-, ethyl ester
CAS No: 139605-37-1 Catalog No: AG001BCN MDL No:
Product Description
Catalog Number:
AG001BCN
Chemical Name:
4H-1,4-Benzoxazine-4-acetic acid, 7-chloro-2,3-dihydro-3-oxo-, ethyl ester
CAS Number:
139605-37-1
Molecular Formula:
C12H12ClNO4
Molecular Weight:
269.6810
IUPAC Name:
ethyl 2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
InChI:
InChI=1S/C12H12ClNO4/c1-2-17-12(16)6-14-9-4-3-8(13)5-10(9)18-7-11(14)15/h3-5H,2,6-7H2,1H3
InChI Key:
OSHAGUXPIDNJDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1C(=O)COc2c1ccc(c2)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.681g/mol
Monoisotopic Mass:
269.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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