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Home > Indoles and Oxindole > 866038-46-2
866038-46-2 | (3Z)-3-[(4-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CAS No: 866038-46-2 Catalog No: AG00IYAU MDL No:MFCD05668780
Product Description
Catalog Number:
AG00IYAU
Chemical Name:
(3Z)-3-[(4-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CAS Number:
866038-46-2
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD05668780
IUPAC Name:
3-[(4-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
InChI:
InChI=1S/C15H10N2O4/c18-14-6-5-9(8-13(14)17(20)21)7-11-10-3-1-2-4-12(10)16-15(11)19/h1-8,18H,(H,16,19)
InChI Key:
DSBYPNVFRAFCAS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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