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Home > Indoles and Oxindole > 256458-56-7
256458-56-7 | [4-(1H-indol-4-yl)piperazino](3-nitrophenyl)methanone
CAS No: 256458-56-7 Catalog No: AG01CALF MDL No:MFCD00829518
Product Description
Catalog Number:
AG01CALF
Chemical Name:
[4-(1H-indol-4-yl)piperazino](3-nitrophenyl)methanone
CAS Number:
256458-56-7
Molecular Formula:
C19H18N4O3
Molecular Weight:
350.3712
MDL Number:
MFCD00829518
IUPAC Name:
[4-(1H-indol-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
InChI:
InChI=1S/C19H18N4O3/c24-19(14-3-1-4-15(13-14)23(25)26)22-11-9-21(10-12-22)18-6-2-5-17-16(18)7-8-20-17/h1-8,13,20H,9-12H2
InChI Key:
TXSGGPDYXKXEJK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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