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126764-75-8 | Phthalazine, 5,6,7,8-tetrabromo-1-chloro-4-(4-methylphenyl)-
CAS No: 126764-75-8 Catalog No: AG000T7Y MDL No:
Product Description
Catalog Number:
AG000T7Y
Chemical Name:
Phthalazine, 5,6,7,8-tetrabromo-1-chloro-4-(4-methylphenyl)-
CAS Number:
126764-75-8
Molecular Formula:
C15H7Br4ClN2
Molecular Weight:
570.2985
IUPAC Name:
5,6,7,8-tetrabromo-1-chloro-4-(4-methylphenyl)phthalazine
InChI:
InChI=1S/C15H7Br4ClN2/c1-6-2-4-7(5-3-6)14-8-9(15(20)22-21-14)11(17)13(19)12(18)10(8)16/h2-5H,1H3
InChI Key:
VFNMPIWDSLXDCH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc(c2c1c(Br)c(Br)c(c2Br)Br)Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.699g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.301g/mol
Monoisotopic Mass:
565.703g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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