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76462-38-9 | 4-(4-Bromophenyl)-1(2H)-phthalazinone
CAS No: 76462-38-9 Catalog No: AG003K2J MDL No:MFCD02660631
Product Description
Catalog Number:
AG003K2J
Chemical Name:
4-(4-Bromophenyl)-1(2H)-phthalazinone
CAS Number:
76462-38-9
Molecular Formula:
C14H9BrN2O
Molecular Weight:
301.1381
MDL Number:
MFCD02660631
IUPAC Name:
4-(4-bromophenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)
InChI Key:
ZISOEGMOUGUEMP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.143g/mol
Monoisotopic Mass:
299.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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