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827611-34-7 | Acetic acid, (3-nitrophenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester
CAS No: 827611-34-7 Catalog No: AG0056ZO MDL No:
Product Description
Catalog Number:
AG0056ZO
Chemical Name:
Acetic acid, (3-nitrophenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester
CAS Number:
827611-34-7
Molecular Formula:
C16H12ClNO6
Molecular Weight:
349.7226
IUPAC Name:
[2-(4-chlorophenyl)-2-oxoethyl] 2-(3-nitrophenoxy)acetate
InChI:
InChI=1S/C16H12ClNO6/c17-12-6-4-11(5-7-12)15(19)9-24-16(20)10-23-14-3-1-2-13(8-14)18(21)22/h1-8H,9-10H2
InChI Key:
JUAXTGADYXNBAD-UHFFFAOYSA-N
SMILES:
O=C(OCC(=O)c1ccc(cc1)Cl)COc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.035g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.723g/mol
Monoisotopic Mass:
349.035g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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