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72875-83-3 | 4H-3,1-Benzoxazin-4-one, 6-iodo-2-phenyl-
CAS No: 72875-83-3 Catalog No: AG00ICBT MDL No:
Product Description
Catalog Number:
AG00ICBT
Chemical Name:
4H-3,1-Benzoxazin-4-one, 6-iodo-2-phenyl-
CAS Number:
72875-83-3
IUPAC Name:
6-iodo-2-phenyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H8INO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
OCVWESVTEMYYTB-UHFFFAOYSA-N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.96g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.127g/mol
Monoisotopic Mass:
348.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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