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Home > Nitro Compounds > 1327395-79-8
1327395-79-8 | Ethanone, 1-(2,4-dimethylphenyl)-2-[(4-nitrobenzoyl)oxy]-
CAS No: 1327395-79-8 Catalog No: AG00112Q MDL No:MFCD07245893
Product Description
Catalog Number:
AG00112Q
Chemical Name:
Ethanone, 1-(2,4-dimethylphenyl)-2-[(4-nitrobenzoyl)oxy]-
CAS Number:
1327395-79-8
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
MDL Number:
MFCD07245893
IUPAC Name:
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-nitrobenzoate
InChI:
InChI=1S/C17H15NO5/c1-11-3-8-15(12(2)9-11)16(19)10-23-17(20)13-4-6-14(7-5-13)18(21)22/h3-9H,10H2,1-2H3
InChI Key:
MLYRAQLCMFOMEM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)COC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/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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