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Home > Nitro Compounds > 1019158-02-1
1019158-02-1 | 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine
CAS No: 1019158-02-1 Catalog No: AG00ILCY MDL No:
Product Description
Catalog Number:
AG00ILCY
Chemical Name:
2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine
CAS Number:
1019158-02-1
Molecular Formula:
C22H22N2O4
Molecular Weight:
378.4211
IUPAC Name:
2-(4-methoxyphenyl)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyrrolidine
InChI:
InChI=1S/C22H22N2O4/c1-27-17-10-8-16(9-11-17)20-7-4-14-23(20)15-18-12-13-22(28-18)19-5-2-3-6-21(19)24(25)26/h2-3,5-6,8-13,20H,4,7,14-15H2,1H3
InChI Key:
RBVNERPDMZVXIP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCCN1Cc1ccc(o1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.158g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.428g/mol
Monoisotopic Mass:
378.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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