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102446-17-3 | Pyrrolidine, 1-butyl-3-[(4-chlorophenyl)phenylmethoxy]-
CAS No: 102446-17-3 Catalog No: AG0007IU MDL No:
Product Description
Catalog Number:
AG0007IU
Chemical Name:
Pyrrolidine, 1-butyl-3-[(4-chlorophenyl)phenylmethoxy]-
CAS Number:
102446-17-3
Molecular Formula:
C21H26ClNO
Molecular Weight:
343.8902
IUPAC Name:
1-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
InChI:
InChI=1S/C21H26ClNO/c1-2-3-14-23-15-13-20(16-23)24-21(17-7-5-4-6-8-17)18-9-11-19(22)12-10-18/h4-12,20-21H,2-3,13-16H2,1H3
InChI Key:
LDCAVJYDEQRFHB-UHFFFAOYSA-N
SMILES:
CCCCN1CCC(C1)OC(c1ccc(cc1)Cl)c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.895g/mol
Monoisotopic Mass:
343.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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