1-Bromo-2-fluoro-5-methyl-4-nitrobenzene - CAS 948294-26-6
Catalog: |
BB041550 |
Product Name: |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
CAS: |
948294-26-6 |
Synonyms: |
1-bromo-2-fluoro-5-methyl-4-nitrobenzene; 1-bromo-2-fluoro-5-methyl-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-fluoro-5-methyl-4-nitrobenzene |
Description: | 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene (CAS# 948294-26-6) is a useful research chemical. |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])F)Br |
InChI: | InChI=1S/C7H5BrFNO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3 |
InChI Key: | ZIULASDABKIDOV-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.32800 |
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-2018103058-A1 | Inhibitors of bruton's tyrosine kinase and methods of their use | 20161209 |
WO-2017125530-A1 | New substituted cyanoindoline derivatives as nik inhibitors | 20160122 |
US-2021087182-A1 | New substituted cyanoindoline derivatives as nik inhibitors | 20160122 |
EP-3386992-A1 | Inhibitors of bruton's tyrosine kinase and methods of their use | 20151210 |
EP-3386992-B1 | Inhibitors of bruton's tyrosine kinase and methods of their use | 20151210 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS