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Home > Nitro Compounds > 672914-30-6
672914-30-6 | 4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one
CAS No: 672914-30-6 Catalog No: AG00IROC MDL No:MFCD04013250
Product Description
Catalog Number:
AG00IROC
Chemical Name:
4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one
CAS Number:
672914-30-6
Molecular Formula:
C18H16N4O3
Molecular Weight:
336.3446
MDL Number:
MFCD04013250
IUPAC Name:
4-(3-nitro-4-pyrrolidin-1-ylphenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C18H16N4O3/c23-18-14-6-2-1-5-13(14)17(19-20-18)12-7-8-15(16(11-12)22(24)25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)
InChI Key:
FPCLJERZGAKAAX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCCC1)c1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.351g/mol
Monoisotopic Mass:
336.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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