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115081-94-2 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 7-iodo-
CAS No: 115081-94-2 Catalog No: AG000FVS MDL No:MFCD11519432
Product Description
Catalog Number:
AG000FVS
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 7-iodo-
CAS Number:
115081-94-2
Molecular Formula:
C8H4INO3
Molecular Weight:
289.0267
MDL Number:
MFCD11519432
IUPAC Name:
7-iodo-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4INO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChI Key:
AMFXDGWSUCLGET-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)[nH]c(=O)oc2=O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.924g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.028g/mol
Monoisotopic Mass:
288.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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