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Home > Nitro Compounds > 89076-17-5
89076-17-5 | Benzoic acid, 2-(4-nitrophenoxy)-, phenyl ester
CAS No: 89076-17-5 Catalog No: AG0040E0 MDL No:
Product Description
Catalog Number:
AG0040E0
Chemical Name:
Benzoic acid, 2-(4-nitrophenoxy)-, phenyl ester
CAS Number:
89076-17-5
Molecular Formula:
C19H13NO5
Molecular Weight:
335.3102
IUPAC Name:
phenyl 2-(4-nitrophenoxy)benzoate
InChI:
InChI=1S/C19H13NO5/c21-19(25-15-6-2-1-3-7-15)17-8-4-5-9-18(17)24-16-12-10-14(11-13-16)20(22)23/h1-13H
InChI Key:
NMDDJBXSSIUPAY-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Oc1ccc(cc1)[N+](=O)[O-])Oc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.315g/mol
Monoisotopic Mass:
335.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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