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23897-94-1 | 4H-3,1-Benzoxazin-4-one,6-iodo-
CAS No: 23897-94-1 Catalog No: AG006U4M MDL No:
Product Description
Catalog Number:
AG006U4M
Chemical Name:
4H-3,1-Benzoxazin-4-one,6-iodo-
CAS Number:
23897-94-1
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
IUPAC Name:
6-iodo-3,1-benzoxazin-4-one
InChI:
InChI=1S/C8H4INO2/c9-5-1-2-7-6(3-5)8(11)12-4-10-7/h1-4H
InChI Key:
MTVNOLRBJSOQNS-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=O)ocn2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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