5-(3-Aminophenyl)-3-cyanophenol - CAS 1261900-78-0
Catalog: |
BB055002 |
Product Name: |
5-(3-Aminophenyl)-3-cyanophenol |
CAS: |
1261900-78-0 |
Synonyms: |
5-(3-AMINOPHENYL)-3-CYANOPHENOL; 3-(3-aminophenyl)-5-hydroxybenzonitrile; 3'-Amino-5-hydroxy-[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-(3-aminophenyl)-5-hydroxybenzonitrile |
Description: | 5-(3-Aminophenyl)-3-cyanophenol |
Molecular Weight: | 210.23 |
Molecular Formula: | C13H10N2O |
Canonical SMILES: | C1=CC(=CC(=C1)N)C2=CC(=CC(=C2)C#N)O |
InChI: | InChI=1S/C13H10N2O/c14-8-9-4-11(7-13(16)5-9)10-2-1-3-12(15)6-10/h1-7,16H,15H2 |
InChI Key: | OVYAQDYNWUBATQ-UHFFFAOYSA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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