tert-Butyl 3-(Bromomethyl)benzoate - CAS 126062-63-3
Catalog: |
BB006308 |
Product Name: |
tert-Butyl 3-(Bromomethyl)benzoate |
CAS: |
126062-63-3 |
Synonyms: |
3-(bromomethyl)benzoic acid tert-butyl ester; tert-butyl 3-(bromomethyl)benzoate |
IUPAC Name: | tert-butyl 3-(bromomethyl)benzoate |
Description: | tert-Butyl 3-(Bromomethyl)benzoate (CAS# 126062-63-3 ) is a useful research chemical. |
Molecular Weight: | 271.15 |
Molecular Formula: | C12H15BrO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC(=CC=C1)CBr |
InChI: | InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3 |
InChI Key: | FWVVBSNKXPFYMT-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.53680 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020210831-A1 | Inhibitors of cd40-cd154 binding | 20190412 |
US-11077101-B1 | Compounds and methods of use | 20180718 |
EP-3497095-A1 | Compounds | 20160815 |
US-2019284167-A1 | Compounds | 20160815 |
WO-2018033719-A1 | Compounds | 20160815 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.02554 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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