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71078-45-0 | Phenol, 4-(2,4-dinitrophenoxy)-
CAS No: 71078-45-0 Catalog No: AG005ERZ MDL No:
Product Description
Catalog Number:
AG005ERZ
Chemical Name:
Phenol, 4-(2,4-dinitrophenoxy)-
CAS Number:
71078-45-0
Molecular Formula:
C12H8N2O6
Molecular Weight:
276.2017
IUPAC Name:
4-(2,4-dinitrophenoxy)phenol
InChI:
InChI=1S/C12H8N2O6/c15-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)14(18)19/h1-7,15H
InChI Key:
JKVHAGHCDVFZMH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.204g/mol
Monoisotopic Mass:
276.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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