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126764-71-4 | 1(2H)-Phthalazinone, 5,6,7,8-tetrabromo-4-(4-methylphenyl)-
CAS No: 126764-71-4 Catalog No: AG000T7Z MDL No:
Product Description
Catalog Number:
AG000T7Z
Chemical Name:
1(2H)-Phthalazinone, 5,6,7,8-tetrabromo-4-(4-methylphenyl)-
CAS Number:
126764-71-4
Molecular Formula:
C15H8Br4N2O
Molecular Weight:
551.8528
IUPAC Name:
5,6,7,8-tetrabromo-4-(4-methylphenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C15H8Br4N2O/c1-6-2-4-7(5-3-6)14-8-9(15(22)21-20-14)11(17)13(19)12(18)10(8)16/h2-5H,1H3,(H,21,22)
InChI Key:
TYTPRSKCFOWXHL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1n[nH]c(=O)c2c1c(Br)c(Br)c(c2Br)Br
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.733g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
551.858g/mol
Monoisotopic Mass:
547.737g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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