1-Bromo-3-methoxy-2-(trifluoromethyl)benzene - CAS 1214345-25-1
Catalog: |
BB005150 |
Product Name: |
1-Bromo-3-methoxy-2-(trifluoromethyl)benzene |
CAS: |
1214345-25-1 |
Synonyms: |
1-bromo-3-methoxy-2-(trifluoromethyl)benzene; 1-bromo-3-methoxy-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-3-methoxy-2-(trifluoromethyl)benzene |
Description: | 1-Bromo-3-methoxy-2-(trifluoromethyl)benzene (CAS# 1214345-25-1) is a useful research chemical. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | COC1=C(C(=CC=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3O/c1-13-6-4-2-3-5(9)7(6)8(10,11)12/h2-4H,1H3 |
InChI Key: | ADCZJLDFAFIEPM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.47650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
AU-2018369759-A1 | KRas G12C inhibitors | 20171115 |
TW-201938555-A | KRAS G12C inhibitor | 20171115 |
US-10689377-B2 | KRas G12C inhibitors | 20171115 |
US-2019144444-A1 | Kras g12c inhibitors | 20171115 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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