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Home > Nitro Compounds > 27695-16-5
27695-16-5 | 1(3H)-Isobenzofuranone, 3-[(4-nitrophenyl)methylene]-
CAS No: 27695-16-5 Catalog No: AG002UHY MDL No:
Product Description
Catalog Number:
AG002UHY
Chemical Name:
1(3H)-Isobenzofuranone, 3-[(4-nitrophenyl)methylene]-
CAS Number:
27695-16-5
Molecular Formula:
C15H9NO4
Molecular Weight:
267.2363
IUPAC Name:
3-[(4-nitrophenyl)methylidene]-2-benzofuran-1-one
InChI:
InChI=1S/C15H9NO4/c17-15-13-4-2-1-3-12(13)14(20-15)9-10-5-7-11(8-6-10)16(18)19/h1-9H
InChI Key:
UICVKJHQZUAKLT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=C1OC(=O)c2c1cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.24g/mol
Monoisotopic Mass:
267.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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