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Home > Nitro Compounds > 1329840-65-4
1329840-65-4 | 2-Benzyloxy-5-nitro-benzoicAcid-13C6BenzylEster
CAS No: 1329840-65-4 Catalog No: AG01E118 MDL No:
Product Description
Catalog Number:
AG01E118
Chemical Name:
2-Benzyloxy-5-nitro-benzoicAcid-13C6BenzylEster
CAS Number:
1329840-65-4
IUPAC Name:
benzyl 5-nitro-2-phenylmethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
InChI:
InChI=1S/C21H17NO5/c23-21(27-15-17-9-5-2-6-10-17)19-13-18(22(24)25)11-12-20(19)26-14-16-7-3-1-4-8-16/h1-13H,14-15H2/i11+1,12+1,13+1,18+1,19+1,20+1
InChI Key:
FYRIDDBMDNIGBS-FIZWXNLOSA-N
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
369.323g/mol
Monoisotopic Mass:
369.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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