200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 488137-27-5
488137-27-5 | 4-[4-(morpholin-4-yl)-3-nitrophenyl]-1,2-dihydrophthalazin-1-one
CAS No: 488137-27-5 Catalog No: AG00IR31 MDL No:MFCD03290330
Product Description
Catalog Number:
AG00IR31
Chemical Name:
4-[4-(morpholin-4-yl)-3-nitrophenyl]-1,2-dihydrophthalazin-1-one
CAS Number:
488137-27-5
Molecular Formula:
C18H16N4O4
Molecular Weight:
352.3440
MDL Number:
MFCD03290330
IUPAC Name:
4-(4-morpholin-4-yl-3-nitrophenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C18H16N4O4/c23-18-14-4-2-1-3-13(14)17(19-20-18)12-5-6-15(16(11-12)22(24)25)21-7-9-26-10-8-21/h1-6,11H,7-10H2,(H,20,23)
InChI Key:
NRYMVCAWZHHNQF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCOCC1)c1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.35g/mol
Monoisotopic Mass:
352.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.