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Home > Nitro Compounds > 173550-33-9
173550-33-9 | Benzoic acid, 3,5-bis(4-nitrophenoxy)-
CAS No: 173550-33-9 Catalog No: AG001Z0L MDL No:MFCD02093450
Product Description
Catalog Number:
AG001Z0L
Chemical Name:
Benzoic acid, 3,5-bis(4-nitrophenoxy)-
CAS Number:
173550-33-9
Molecular Formula:
C19H12N2O8
Molecular Weight:
396.3072
MDL Number:
MFCD02093450
IUPAC Name:
3,5-bis(4-nitrophenoxy)benzoic acid
InChI:
InChI=1S/C19H12N2O8/c22-19(23)12-9-17(28-15-5-1-13(2-6-15)20(24)25)11-18(10-12)29-16-7-3-14(4-8-16)21(26)27/h1-11H,(H,22,23)
InChI Key:
JOSXKPZXMVHRKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.059g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.311g/mol
Monoisotopic Mass:
396.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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