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Home > Nitro Compounds > 890098-31-4
890098-31-4 | 4-ETHOXYCARBONYL-3'-NITROBENZOPHENONE
CAS No: 890098-31-4 Catalog No: AG0043NF MDL No:
Product Description
Catalog Number:
AG0043NF
Chemical Name:
4-ETHOXYCARBONYL-3'-NITROBENZOPHENONE
CAS Number:
890098-31-4
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
ethyl 4-(3-nitrobenzoyl)benzoate
InChI:
InChI=1S/C16H13NO5/c1-2-22-16(19)12-8-6-11(7-9-12)15(18)13-4-3-5-14(10-13)17(20)21/h3-10H,2H2,1H3
InChI Key:
IUXAUUIRPSPUIT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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