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Home > Nitro Compounds > 218144-45-7
218144-45-7 | 1(2H)-Phthalazinone, 4-[3-nitro-4-(1-piperidinyl)phenyl]-
CAS No: 218144-45-7 Catalog No: AG00I48D MDL No:MFCD00116203
Product Description
Catalog Number:
AG00I48D
Chemical Name:
1(2H)-Phthalazinone, 4-[3-nitro-4-(1-piperidinyl)phenyl]-
CAS Number:
218144-45-7
MDL Number:
MFCD00116203
IUPAC Name:
4-(3-nitro-4-piperidin-1-ylphenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C19H18N4O3/c24-19-15-7-3-2-6-14(15)18(20-21-19)13-8-9-16(17(12-13)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,24)
InChI Key:
ZZVUHPJVOJWXPW-UHFFFAOYSA-N
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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