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Home > Nitro Compounds > 7621-81-0
7621-81-0 | 4-(2-nitrobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS No: 7621-81-0 Catalog No: AG00577B MDL No:
Product Description
Catalog Number:
AG00577B
Chemical Name:
4-(2-nitrobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS Number:
7621-81-0
Molecular Formula:
C16H10N2O4
Molecular Weight:
294.2616
IUPAC Name:
4-[(2-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H10N2O4/c19-16-13(10-12-8-4-5-9-14(12)18(20)21)17-15(22-16)11-6-2-1-3-7-11/h1-10H
InChI Key:
QRTYQFYODBKCHQ-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccccc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.266g/mol
Monoisotopic Mass:
294.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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