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1003872-84-1 | 4H-1,4-Benzoxazine-4-acetic acid, 6,7-dichloro-2,3-dihydro-3-oxo-
CAS No: 1003872-84-1 Catalog No: AG0001UH MDL No:
Product Description
Catalog Number:
AG0001UH
Chemical Name:
4H-1,4-Benzoxazine-4-acetic acid, 6,7-dichloro-2,3-dihydro-3-oxo-
CAS Number:
1003872-84-1
Molecular Formula:
C10H7Cl2NO4
Molecular Weight:
276.0729
IUPAC Name:
2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
InChI:
InChI=1S/C10H7Cl2NO4/c11-5-1-7-8(2-6(5)12)17-4-9(14)13(7)3-10(15)16/h1-2H,3-4H2,(H,15,16)
InChI Key:
CINNSESKXISBNO-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)COc2c1cc(Cl)c(c2)Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.975g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.069g/mol
Monoisotopic Mass:
274.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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