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Home > Nitro Compounds > 364746-41-8
364746-41-8 | 1-(4-nitrobenzoyl)-3-phenylpyrrolidine
CAS No: 364746-41-8 Catalog No: AG00JH1Q MDL No:MFCD07022038
Product Description
Catalog Number:
AG00JH1Q
Chemical Name:
1-(4-nitrobenzoyl)-3-phenylpyrrolidine
CAS Number:
364746-41-8
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD07022038
IUPAC Name:
(4-nitrophenyl)-(3-phenylpyrrolidin-1-yl)methanone
InChI:
InChI=1S/C17H16N2O3/c20-17(14-6-8-16(9-7-14)19(21)22)18-11-10-15(12-18)13-4-2-1-3-5-13/h1-9,15H,10-12H2
InChI Key:
IAICSBIOISXTJK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC(C1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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