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Home > Nitro Compounds > 15023-67-3
15023-67-3 | Benzoic acid, 4-methyl-, 4-nitrophenyl ester
CAS No: 15023-67-3 Catalog No: AG001MFM MDL No:
Product Description
Catalog Number:
AG001MFM
Chemical Name:
Benzoic acid, 4-methyl-, 4-nitrophenyl ester
CAS Number:
15023-67-3
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
(4-nitrophenyl) 4-methylbenzoate
InChI:
InChI=1S/C14H11NO4/c1-10-2-4-11(5-3-10)14(16)19-13-8-6-12(7-9-13)15(17)18/h2-9H,1H3
InChI Key:
IQTZVMBCINKMHK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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