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Home > Nitro Compounds > 1330265-54-7
1330265-54-7 | 2-Benzyloxy-3-nitro-benzoicAcid-13C6BenzylEster
CAS No: 1330265-54-7 Catalog No: AG01E139 MDL No:
Product Description
Catalog Number:
AG01E139
Chemical Name:
2-Benzyloxy-3-nitro-benzoicAcid-13C6BenzylEster
CAS Number:
1330265-54-7
IUPAC Name:
benzyl 3-nitro-2-phenylmethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
InChI:
InChI=1S/C21H17NO5/c23-21(27-15-17-10-5-2-6-11-17)18-12-7-13-19(22(24)25)20(18)26-14-16-8-3-1-4-9-16/h1-13H,14-15H2/i7+1,12+1,13+1,18+1,19+1,20+1
InChI Key:
PASQATSQCXYGQJ-VFPCLECSSA-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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