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139259-98-6 | Acetic acid, benzoyl[(4-nitrophenyl)methoxy]azanyl ester
CAS No: 139259-98-6 Catalog No: AG001AKH MDL No:
Product Description
Catalog Number:
AG001AKH
Chemical Name:
Acetic acid, benzoyl[(4-nitrophenyl)methoxy]azanyl ester
CAS Number:
139259-98-6
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
[benzoyl-[(4-nitrophenyl)methoxy]amino] acetate
InChI:
InChI=1S/C16H14N2O6/c1-12(19)24-18(16(20)14-5-3-2-4-6-14)23-11-13-7-9-15(10-8-13)17(21)22/h2-10H,11H2,1H3
InChI Key:
BIPFSLROIPYVDR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-]
UNII:
8K5U3JED6A
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.296g/mol
Monoisotopic Mass:
330.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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