Ethyl 3-Bromo-4-isopropoxybenzoate - CAS 860695-52-9
Catalog: |
BB037815 |
Product Name: |
Ethyl 3-Bromo-4-isopropoxybenzoate |
CAS: |
860695-52-9 |
Synonyms: |
3-bromo-4-propan-2-yloxybenzoic acid ethyl ester; ethyl 3-bromo-4-propan-2-yloxybenzoate |
IUPAC Name: | ethyl 3-bromo-4-propan-2-yloxybenzoate |
Description: | Ethyl 3-Bromo-4-isopropoxybenzoate (CAS# 860695-52-9 ) is a useful research chemical. |
Molecular Weight: | 287.15 |
Molecular Formula: | C12H15BrO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)OC(C)C)Br |
InChI: | InChI=1S/C12H15BrO3/c1-4-15-12(14)9-5-6-11(10(13)7-9)16-8(2)3/h5-8H,4H2,1-3H3 |
InChI Key: | GMZBRMJPVWTSFW-UHFFFAOYSA-N |
LogP: | 3.41300 |
Publication Number | Title | Priority Date |
US-2015094337-A1 | Heterocyclic group contained amino-methanol derivative, and salt, synthetic method and use thereof | 20110610 |
US-9315492-B2 | Heterocyclic group contained amino-methanol derivative, and salt, synthetic method and use thereof | 20110610 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.02046 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.02046 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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