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Home > Nitro Compounds > 155388-71-9
155388-71-9 | Benzoic acid, 2-hydroxy-5-nitro-, phenylmethyl ester
CAS No: 155388-71-9 Catalog No: AG001NUW MDL No:
Product Description
Catalog Number:
AG001NUW
Chemical Name:
Benzoic acid, 2-hydroxy-5-nitro-, phenylmethyl ester
CAS Number:
155388-71-9
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
benzyl 2-hydroxy-5-nitrobenzoate
InChI:
InChI=1S/C14H11NO5/c16-13-7-6-11(15(18)19)8-12(13)14(17)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChI Key:
DNKITKPTEJNJOU-UHFFFAOYSA-N
SMILES:
O=C(c1cc(ccc1O)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
348
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:
4.2
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