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115081-93-1 | 8-iodo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CAS No: 115081-93-1 Catalog No: AG01ELHC MDL No:MFCD31002257
Product Description
Catalog Number:
AG01ELHC
Chemical Name:
8-iodo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CAS Number:
115081-93-1
Molecular Formula:
C8H4INO3
Molecular Weight:
289.0267
MDL Number:
MFCD31002257
IUPAC Name:
8-iodo-8H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4INO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3,5H
InChI Key:
PCZXYYLCLVIDKM-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)c(I)ccc2
Properties
Complexity:
381
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:
0
Isotope Atom Count:
0
Molecular Weight:
289.028g/mol
Monoisotopic Mass:
288.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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