3,3'-Diamino-5,5'-bis(trifluoromethyl)biphenyl - CAS 174612-10-3
Catalog: |
BB068271 |
Product Name: |
3,3'-Diamino-5,5'-bis(trifluoromethyl)biphenyl |
CAS: |
174612-10-3 |
Synonyms: |
3,3'-diamino-5,5'-bis(trifluoromethyl)biphenyl; 3-[3-amino-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)aniline; 5,5'-Bis(trifluoromethyl)biphenyl-3,3'-diamine |
IUPAC Name: | 3-[3-amino-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)aniline |
Description: | 3,3'-Diamino-5,5'-bis(trifluoromethyl)biphenyl |
Molecular Weight: | 320.23 |
Molecular Formula: | C14H10F6N2 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)N)C2=CC(=CC(=C2)N)C(F)(F)F |
InChI: | InChI=1S/C14H10F6N2/c15-13(16,17)9-1-7(3-11(21)5-9)8-2-10(14(18,19)20)6-12(22)4-8/h1-6H,21-22H2 |
InChI Key: | NPVLUNVCARVDIJ-UHFFFAOYSA-N |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.0748173 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.0748173 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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