1-(3-Bromophenyl)-2,2,2-trifluoroethanol - CAS 446-63-9
Catalog: |
BB025687 |
Product Name: |
1-(3-Bromophenyl)-2,2,2-trifluoroethanol |
CAS: |
446-63-9 |
Synonyms: |
1-(3-bromophenyl)-2,2,2-trifluoroethanol; 1-(3-bromophenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(3-bromophenyl)-2,2,2-trifluoroethanol |
Description: | 1-(3-Bromophenyl)-2,2,2-trifluoroethanol (CAS# 446-63-9) is a useful research chemical. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C(C(F)(F)F)O |
InChI: | InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H |
InChI Key: | YJAXYKDDEAMXAW-UHFFFAOYSA-N |
LogP: | 3.04480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105960-A1 | Substituted tricyclic compounds | 20191129 |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
JP-2019502755-A | Metalloenzyme inhibitory compounds | 20151230 |
KR-20180099845-A | Metal enzyme inhibiting compound | 20151230 |
US-10464922-B2 | Metalloenzyme inhibitor compounds | 20151230 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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