(3-Amino-2-fluorophenyl)methanol - CAS 1051899-73-0
Catalog: |
BB074806 |
Product Name: |
(3-Amino-2-fluorophenyl)methanol |
CAS: |
1051899-73-0 |
Synonyms: |
(3-AMINO-2-FLUOROPHENYL)METHANOL; 3-Amino-2-fluorobenzyl alcohol |
IUPAC Name: | (3-amino-2-fluorophenyl)methanol |
Description: | (3-Amino-2-fluorophenyl)methanol is used as a reactant in the preparation of pyrazolylthiadiazolamine derivatives for the treatment of tuberculosis. |
Molecular Weight: | 141.14 |
Molecular Formula: | C7H8FNO |
Canonical SMILES: | C1=CC(=C(C(=C1)N)F)CO |
InChI: | InChI=1S/C7H8FNO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4,9H2 |
InChI Key: | DHBSPQXMPAFUKP-UHFFFAOYSA-N |
References: | Ballell Pages, L., et al. PCT Int. Appl. (2010), WO 2010118852 A1 20101021. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.058992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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