3-Amino-1-methyl-4-phenoxyindazole - CAS 1000018-07-4
Catalog: |
BB000003 |
Product Name: |
3-Amino-1-methyl-4-phenoxyindazole |
CAS: |
1000018-07-4 |
Synonyms: |
1-methyl-4-phenoxy-3-indazolamine; 1-methyl-4-phenoxyindazol-3-amine |
IUPAC Name: | 1-methyl-4-phenoxyindazol-3-amine |
Description: | 3-Amino-1-methyl-4-phenoxyindazole (CAS# 1000018-07-4 ) is a useful research chemical. |
Molecular Weight: | 239.27 |
Molecular Formula: | C14H13N3O |
Canonical SMILES: | CN1C2=C(C(=CC=C2)OC3=CC=CC=C3)C(=N1)N |
InChI: | InChI=1S/C14H13N3O/c1-17-11-8-5-9-12(13(11)14(15)16-17)18-10-6-3-2-4-7-10/h2-9H,1H3,(H2,15,16) |
InChI Key: | WRWPMLQRWYBBLY-UHFFFAOYSA-N |
MDL: | MFCD09864805 |
LogP: | 3.52900 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.105862047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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