1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane - CAS 858121-96-7
Catalog: |
BB037731 |
Product Name: |
1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane |
CAS: |
858121-96-7 |
Synonyms: |
1-(bromomethyl)-4-(trifluoromethyl)cyclohexane; 1-(bromomethyl)-4-(trifluoromethyl)cyclohexane |
IUPAC Name: | 1-(bromomethyl)-4-(trifluoromethyl)cyclohexane |
Description: | 1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane (CAS# 858121-96-7) is a useful research chemical. |
Molecular Weight: | 245.08 |
Molecular Formula: | C8H12BrF3 |
Canonical SMILES: | C1CC(CCC1CBr)C(F)(F)F |
InChI: | InChI=1S/C8H12BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h6-7H,1-5H2 |
InChI Key: | OLFWEZJQUZTRPE-UHFFFAOYSA-N |
LogP: | 3.75000 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110770214-A | Heterocyclic P2X7 antagonists | 20170503 |
EP-3619200-A1 | Heterocyclic p2x7 antagonists | 20170503 |
US-2020055831-A1 | Heterocyclic p2x7 antagonists | 20170503 |
WO-2018202694-A1 | Heterocyclic p2x7 antagonists | 20170503 |
JP-2020518555-A | Heterocyclic P2X7 antagonist | 20170503 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.00745 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.00745 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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