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Home > Nitro Compounds > 834880-15-8
834880-15-8 | Benzene, 2,4-bis[(4-nitrophenoxy)methyl]-1-(2-propynyloxy)-
CAS No: 834880-15-8 Catalog No: AG0052VF MDL No:
Product Description
Catalog Number:
AG0052VF
Chemical Name:
Benzene, 2,4-bis[(4-nitrophenoxy)methyl]-1-(2-propynyloxy)-
CAS Number:
834880-15-8
Molecular Formula:
C23H18N2O7
Molecular Weight:
434.3982
IUPAC Name:
2,4-bis[(4-nitrophenoxy)methyl]-1-prop-2-ynoxybenzene
InChI:
InChI=1S/C23H18N2O7/c1-2-13-30-23-12-3-17(15-31-21-8-4-19(5-9-21)24(26)27)14-18(23)16-32-22-10-6-20(7-11-22)25(28)29/h1,3-12,14H,13,15-16H2
InChI Key:
CEPMQXHCXSHAMK-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.111g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.404g/mol
Monoisotopic Mass:
434.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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