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15023-66-2 | Benzoic acid, 4-(dimethylamino)-, 4-nitrophenyl ester
CAS No: 15023-66-2 Catalog No: AG001MFN MDL No:
Product Description
Catalog Number:
AG001MFN
Chemical Name:
Benzoic acid, 4-(dimethylamino)-, 4-nitrophenyl ester
CAS Number:
15023-66-2
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
(4-nitrophenyl) 4-(dimethylamino)benzoate
InChI:
InChI=1S/C15H14N2O4/c1-16(2)12-5-3-11(4-6-12)15(18)21-14-9-7-13(8-10-14)17(19)20/h3-10H,1-2H3
InChI Key:
CBXQLZJPJUGTSC-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-])C
NSC Number:
117367
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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