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82772-92-7 | Phenol, 4,4'-(1,2-diamino-1,2-ethanediyl)bis[3,5-dichloro-
CAS No: 82772-92-7 Catalog No: AG0056JW MDL No:
Product Description
Catalog Number:
AG0056JW
Chemical Name:
Phenol, 4,4'-(1,2-diamino-1,2-ethanediyl)bis[3,5-dichloro-
CAS Number:
82772-92-7
Molecular Formula:
C14H12Cl4N2O2
Molecular Weight:
382.0693
IUPAC Name:
3,5-dichloro-4-[1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
InChI:
InChI=1S/C14H12Cl4N2O2/c15-7-1-5(21)2-8(16)11(7)13(19)14(20)12-9(17)3-6(22)4-10(12)18/h1-4,13-14,21-22H,19-20H2
InChI Key:
QFAANAZLFLSJEV-UHFFFAOYSA-N
SMILES:
NC(c1c(Cl)cc(cc1Cl)O)C(c1c(Cl)cc(cc1Cl)O)N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.962g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
382.062g/mol
Monoisotopic Mass:
379.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Platinum(II) complexes interfering with testicular steroid biosynthesis: drugs for the therapy of advanced or recurrent prostate cancers? Preclinical studies. | Journal of cancer research and clinical oncology 20070301 |
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