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Home > Indoles and Oxindole > 338414-71-4
338414-71-4 | (3Z)-3-[(3-nitrophenyl)imino]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CAS No: 338414-71-4 Catalog No: AG00IPIV MDL No:MFCD01314945
Product Description
Catalog Number:
AG00IPIV
Chemical Name:
(3Z)-3-[(3-nitrophenyl)imino]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CAS Number:
338414-71-4
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
MDL Number:
MFCD01314945
IUPAC Name:
3-(3-nitrophenyl)imino-1-prop-2-enylindol-2-one
InChI:
InChI=1S/C17H13N3O3/c1-2-10-19-15-9-4-3-8-14(15)16(17(19)21)18-12-6-5-7-13(11-12)20(22)23/h2-9,11H,1,10H2
InChI Key:
KUFYABPIMVVESQ-UHFFFAOYSA-N
SMILES:
C=CCN1c2ccccc2/C(=N/c2cccc(c2)[N+](=O)[O-])/C1=O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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