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Home > Nitro Compounds > 575460-40-1
575460-40-1 | 4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,2-dihydrophthalazin-1-one
CAS No: 575460-40-1 Catalog No: AG00IROB MDL No:MFCD04026606
Product Description
Catalog Number:
AG00IROB
Chemical Name:
4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,2-dihydrophthalazin-1-one
CAS Number:
575460-40-1
Molecular Formula:
C20H20N4O3
Molecular Weight:
364.3978
MDL Number:
MFCD04026606
IUPAC Name:
4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one
InChI:
InChI=1S/C20H20N4O3/c1-13-8-10-23(11-9-13)17-7-6-14(12-18(17)24(26)27)19-15-4-2-3-5-16(15)20(25)22-21-19/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChI Key:
PNEGUXGVJRQSJO-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])c1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.154g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.405g/mol
Monoisotopic Mass:
364.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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