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40889-40-5 | 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one
CAS No: 40889-40-5 Catalog No: AG00CHBK MDL No:
Product Description
Catalog Number:
AG00CHBK
Chemical Name:
6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one
CAS Number:
40889-40-5
IUPAC Name:
6-iodo-2-methyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C9H6INO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChI Key:
SDORUMRUSQLRFM-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.056g/mol
Monoisotopic Mass:
286.944g/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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