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Home > Nitro Compounds > 109161-83-3
109161-83-3 | 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole
CAS No: 109161-83-3 Catalog No: AG00HBAM MDL No:MFCD07658125
Product Description
Catalog Number:
AG00HBAM
Chemical Name:
5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole
CAS Number:
109161-83-3
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD07658125
IUPAC Name:
5-[(4-nitrophenyl)methoxy]-1,3-benzodioxole
InChI:
InChI=1S/C14H11NO5/c16-15(17)11-3-1-10(2-4-11)8-18-12-5-6-13-14(7-12)20-9-19-13/h1-7H,8-9H2
InChI Key:
WRKHLSYNBNPJLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COc1ccc2c(c1)OCO2
Properties
Complexity:
337
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:
0
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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