4-[(1-Methylpyrazol-5-yl)methoxy]phenylamine - CAS 1245823-78-2
Catalog: |
BB051820 |
Product Name: |
4-[(1-Methylpyrazol-5-yl)methoxy]phenylamine |
CAS: |
1245823-78-2 |
Synonyms: |
4-[(1-methyl-1H-pyrazol-5-yl)methoxy]aniline |
IUPAC Name: | 4-[(2-methylpyrazol-3-yl)methoxy]aniline |
Molecular Weight: | 203.24 |
Molecular Formula: | C11H13N3O |
Canonical SMILES: | CN1C(=CC=N1)COC2=CC=C(C=C2)N |
InChI: | InChI=1S/C11H13N3O/c1-14-10(6-7-13-14)8-15-11-4-2-9(12)3-5-11/h2-7H,8,12H2,1H3 |
InChI Key: | AQDVYFRVXGBJOB-UHFFFAOYSA-N |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.105862047 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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