2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol - CAS 202134-57-4
Catalog: |
BB015715 |
Product Name: |
2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol |
CAS: |
202134-57-4 |
Synonyms: |
2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol; 2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
IUPAC Name: | 2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
Description: | 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol (CAS# 202134-57-4) is a useful research chemical. |
Molecular Weight: | 337.06 |
Molecular Formula: | C10H7BrF6O |
Canonical SMILES: | C1=CC(=CC=C1CBr)C(C(F)(F)F)(C(F)(F)F)O |
InChI: | InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2 |
InChI Key: | LVLBRKWIJOFEHS-UHFFFAOYSA-N |
MDL: | MFCD09998077 |
LogP: | 3.89370 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110167930-A | ROR gamma modulators | 20161110 |
EP-3538522-A1 | Ror gamma modulators | 20161110 |
JP-2019534301-A | ROR gamma modulator | 20161110 |
KR-20190076041-A | ROR Gamma Conditioner | 20161110 |
US-2020024257-A1 | Ror gamma modulators | 20161110 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.95845 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.95845 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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