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Home > Nitro Compounds > 85078-23-5
85078-23-5 | 1,1'-(2-nitrobutane-1,1-diyl)bis(4-propoxybenzene)
CAS No: 85078-23-5 Catalog No: AG004XO3 MDL No:
Product Description
Catalog Number:
AG004XO3
Chemical Name:
1,1'-(2-nitrobutane-1,1-diyl)bis(4-propoxybenzene)
CAS Number:
85078-23-5
Molecular Formula:
C22H29NO4
Molecular Weight:
371.4700
IUPAC Name:
1-[2-nitro-1-(4-propoxyphenyl)butyl]-4-propoxybenzene
InChI:
InChI=1S/C22H29NO4/c1-4-15-26-19-11-7-17(8-12-19)22(21(6-3)23(24)25)18-9-13-20(14-10-18)27-16-5-2/h7-14,21-22H,4-6,15-16H2,1-3H3
InChI Key:
KQTDNVTWQDOKHN-UHFFFAOYSA-N
SMILES:
CCC(C(c1ccc(cc1)OCCC)c1ccc(cc1)OCCC)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.21g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.477g/mol
Monoisotopic Mass:
371.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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