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79834-44-9 | Piperazine, 1-(4-aminobenzoyl)-4-(4-chlorophenyl)-
CAS No: 79834-44-9 Catalog No: AG00503U MDL No:
Product Description
Catalog Number:
AG00503U
Chemical Name:
Piperazine, 1-(4-aminobenzoyl)-4-(4-chlorophenyl)-
CAS Number:
79834-44-9
Molecular Formula:
C17H18ClN3O
Molecular Weight:
315.7973
IUPAC Name:
(4-aminophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
InChI:
InChI=1S/C17H18ClN3O/c18-14-3-7-16(8-4-14)20-9-11-21(12-10-20)17(22)13-1-5-15(19)6-2-13/h1-8H,9-12,19H2
InChI Key:
PIFDVBGQMSIQFN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.801g/mol
Monoisotopic Mass:
315.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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