tert-Butyl 4-Bromobenzoate - CAS 59247-47-1
Catalog: |
BB030310 |
Product Name: |
tert-Butyl 4-Bromobenzoate |
CAS: |
59247-47-1 |
Synonyms: |
4-bromobenzoic acid tert-butyl ester; tert-butyl 4-bromobenzoate |
IUPAC Name: | tert-butyl 4-bromobenzoate |
Description: | 4-bromo substituted benzoic acid derivative used as a building block for the synthesis of various biologically active compounds. |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3 |
InChI Key: | BFJJYXUCGYOXDM-UHFFFAOYSA-N |
Boiling Point: | 297 °C at 760 mmHg |
Density: | 1.331 g/cm3 |
LogP: | 3.40440 |
GHS Hazard Statement: | H302 (33.33%): 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 |
US-2021196710-A1 | Compounds and methods for the targeted degradation of androgen receptor | 20191219 |
WO-2021127443-A1 | Compounds and methods for the targeted degradation of androgen receptor | 20191219 |
WO-2021113368-A1 | Sstr5 antagonists | 20191203 |
WO-2021055756-A1 | Spirocyclic androgen receptor protein degraders | 20190919 |
JP-2020142996-A | Method for producing arylfluorene derivative | 20190304 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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