4-Bromo-1-(difluoromethyl)-2-fluorobenzene - CAS 749932-17-0
Catalog: |
BB035216 |
Product Name: |
4-Bromo-1-(difluoromethyl)-2-fluorobenzene |
CAS: |
749932-17-0 |
Synonyms: |
4-bromo-1-(difluoromethyl)-2-fluorobenzene |
IUPAC Name: | 4-bromo-1-(difluoromethyl)-2-fluorobenzene |
Description: | 4-Bromo-1-(difluoromethyl)-2-fluorobenzene (CAS# 749932-17-0) is a useful research chemical. |
Molecular Weight: | 225.01 |
Molecular Formula: | C7H4BrF3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)C(F)F |
InChI: | InChI=1S/C7H4BrF3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H |
InChI Key: | WRTTUKLMUOEXBS-UHFFFAOYSA-N |
Boiling Point: | 199.1 °C at 760 mmHg |
Density: | 1.633 g/cm3 |
LogP: | 3.52580 |
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 |
JP-2021119176-A | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
JP-6880352-B1 | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
KR-20210064234-A | Cyclic peptide compound having Kras inhibitory action | 20191107 |
WO-2021090855-A1 | Cyclic peptide compound having kras inhibiting action | 20191107 |
WO-2020246487-A1 | Compounds having dispiro diketopiperazine structure | 20190604 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.94485 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.94485 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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