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85303-65-7 | 4-NITROBENZYL SALICYLATE
CAS No: 85303-65-7 Catalog No: AG004P8U MDL No:
Product Description
Catalog Number:
AG004P8U
Chemical Name:
4-NITROBENZYL SALICYLATE
CAS Number:
85303-65-7
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
(4-nitrophenyl)methyl 2-hydroxybenzoate
InChI:
InChI=1S/C14H11NO5/c16-13-4-2-1-3-12(13)14(17)20-9-10-5-7-11(8-6-10)15(18)19/h1-8,16H,9H2
InChI Key:
SZSSFMAYGDWSBS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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