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89632-73-5 | 4H-3,1-Benzoxazin-4-one, 6-bromo-2-(3,5-dibromo-2-hydroxyphenyl)-
CAS No: 89632-73-5 Catalog No: AG003WJ6 MDL No:
Product Description
Catalog Number:
AG003WJ6
Chemical Name:
4H-3,1-Benzoxazin-4-one, 6-bromo-2-(3,5-dibromo-2-hydroxyphenyl)-
CAS Number:
89632-73-5
Molecular Formula:
C14H6Br3NO3
Molecular Weight:
475.9143
IUPAC Name:
6-bromo-2-(3,5-dibromo-2-hydroxyphenyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H6Br3NO3/c15-6-1-2-11-8(3-6)14(20)21-13(18-11)9-4-7(16)5-10(17)12(9)19/h1-5,19H
InChI Key:
CZQBSIHBBODOLF-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1nc2ccc(cc2c(=O)o1)Br)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.788g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.918g/mol
Monoisotopic Mass:
472.79g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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