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116485-05-3 | 1-Penten-3-one, 5-[(4-chlorophenyl)amino]-1-(4-nitrophenyl)-
CAS No: 116485-05-3 Catalog No: AG000CM6 MDL No:
Product Description
Catalog Number:
AG000CM6
Chemical Name:
1-Penten-3-one, 5-[(4-chlorophenyl)amino]-1-(4-nitrophenyl)-
CAS Number:
116485-05-3
Molecular Formula:
C17H15ClN2O3
Molecular Weight:
330.7656
IUPAC Name:
5-(4-chloroanilino)-1-(4-nitrophenyl)pent-1-en-3-one
InChI:
InChI=1S/C17H15ClN2O3/c18-14-4-6-15(7-5-14)19-12-11-17(21)10-3-13-1-8-16(9-2-13)20(22)23/h1-10,19H,11-12H2
InChI Key:
OKEGVPKWPGBOCJ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccc(cc1)[N+](=O)[O-])CCNc1ccc(cc1)Cl
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.768g/mol
Monoisotopic Mass:
330.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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