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Home > Nitro Compounds > 143786-35-0
143786-35-0 | 1,3-Dioxolane, 2-methyl-2-[4-(4-nitrophenoxy)phenyl]-
CAS No: 143786-35-0 Catalog No: AG001IDH MDL No:
Product Description
Catalog Number:
AG001IDH
Chemical Name:
1,3-Dioxolane, 2-methyl-2-[4-(4-nitrophenoxy)phenyl]-
CAS Number:
143786-35-0
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
2-methyl-2-[4-(4-nitrophenoxy)phenyl]-1,3-dioxolane
InChI:
InChI=1S/C16H15NO5/c1-16(20-10-11-21-16)12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)17(18)19/h2-9H,10-11H2,1H3
InChI Key:
XFDGOCXPLYIAOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)C1(C)OCCO1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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