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Home > Nitro Compounds > 823814-62-6
823814-62-6 | Benzoic acid, 3,5-bis[4-nitro-3-(phenylmethoxy)phenoxy]-, methyl ester
CAS No: 823814-62-6 Catalog No: AG004X1L MDL No:
Product Description
Catalog Number:
AG004X1L
Chemical Name:
Benzoic acid, 3,5-bis[4-nitro-3-(phenylmethoxy)phenoxy]-, methyl ester
CAS Number:
823814-62-6
Molecular Formula:
C34H26N2O10
Molecular Weight:
622.5776
IUPAC Name:
methyl 3,5-bis(4-nitro-3-phenylmethoxyphenoxy)benzoate
InChI:
InChI=1S/C34H26N2O10/c1-42-34(37)25-16-28(45-26-12-14-30(35(38)39)32(19-26)43-21-23-8-4-2-5-9-23)18-29(17-25)46-27-13-15-31(36(40)41)33(20-27)44-22-24-10-6-3-7-11-24/h2-20H,21-22H2,1H3
InChI Key:
IZJMZZZGVPGKOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Oc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-])Oc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
908
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
622.159g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
622.586g/mol
Monoisotopic Mass:
622.159g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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