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7254-22-0 | 2-oxo-2-phenylethyl 4-nitrobenzoate
CAS No: 7254-22-0 Catalog No: AG005GEV MDL No:
Product Description
Catalog Number:
AG005GEV
Chemical Name:
2-oxo-2-phenylethyl 4-nitrobenzoate
CAS Number:
7254-22-0
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
phenacyl 4-nitrobenzoate
InChI:
InChI=1S/C15H11NO5/c17-14(11-4-2-1-3-5-11)10-21-15(18)12-6-8-13(9-7-12)16(19)20/h1-9H,10H2
InChI Key:
HTUPFJNHCYKLPU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OCC(=O)c1ccccc1
NSC Number:
73266
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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