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125138-60-5 | Phenol, 3,5-dichloro-2-(4-nitrophenoxy)-
CAS No: 125138-60-5 Catalog No: AG000N8K MDL No:
Product Description
Catalog Number:
AG000N8K
Chemical Name:
Phenol, 3,5-dichloro-2-(4-nitrophenoxy)-
CAS Number:
125138-60-5
Molecular Formula:
C12H7Cl2NO4
Molecular Weight:
300.0943
IUPAC Name:
3,5-dichloro-2-(4-nitrophenoxy)phenol
InChI:
InChI=1S/C12H7Cl2NO4/c13-7-5-10(14)12(11(16)6-7)19-9-3-1-8(2-4-9)15(17)18/h1-6,16H
InChI Key:
ZGLYGVLZIKZYPN-UHFFFAOYSA-N
SMILES:
Clc1cc(O)c(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.975g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.091g/mol
Monoisotopic Mass:
298.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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