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Home > Nitro Compounds > 647842-76-0
647842-76-0 | Benzene, 2,4-bis[(4-nitrophenoxy)methyl]-1-(2-propenyloxy)-
CAS No: 647842-76-0 Catalog No: AG00H6TB MDL No:
Product Description
Catalog Number:
AG00H6TB
Chemical Name:
Benzene, 2,4-bis[(4-nitrophenoxy)methyl]-1-(2-propenyloxy)-
CAS Number:
647842-76-0
Molecular Formula:
C23H20N2O7
Molecular Weight:
436.4141
IUPAC Name:
2,4-bis[(4-nitrophenoxy)methyl]-1-prop-2-enoxybenzene
InChI:
InChI=1S/C23H20N2O7/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/h2-12,14H,1,13,15-16H2
InChI Key:
WXHDEEDJUSSORC-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.127g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.42g/mol
Monoisotopic Mass:
436.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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