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Home > Nitro Compounds > 675126-26-8
675126-26-8 | 4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile
CAS No: 675126-26-8 Catalog No: AG003HS3 MDL No:MFCD11110476
Product Description
Catalog Number:
AG003HS3
Chemical Name:
4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile
CAS Number:
675126-26-8
Molecular Formula:
C15H19N3O5
Molecular Weight:
321.3285
MDL Number:
MFCD11110476
IUPAC Name:
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile
InChI:
InChI=1S/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3
InChI Key:
FYCDMKYKGPHRFW-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OCCCN1CCOCC1)C#N
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.333g/mol
Monoisotopic Mass:
321.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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