Ethyl 3-Bromo-2-methylbenzoate - CAS 103038-43-3
Catalog: |
BB000997 |
Product Name: |
Ethyl 3-Bromo-2-methylbenzoate |
CAS: |
103038-43-3 |
Synonyms: |
3-bromo-2-methylbenzoic acid ethyl ester; ethyl 3-bromo-2-methylbenzoate |
IUPAC Name: | ethyl 3-bromo-2-methylbenzoate |
Description: | Ethyl 3-Bromo-2-methylbenzoate (CAS# 103038-43-3) is a useful research chemical. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC=C1)Br)C |
InChI: | InChI=1S/C10H11BrO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3 |
InChI Key: | ISZDEZLLBGJTTF-UHFFFAOYSA-N |
LogP: | 0.34720 |
Publication Number | Title | Priority Date |
CN-111187172-A | Nitrophenyl ether compound, preparation method thereof, pharmaceutical composition and application | 20200120 |
WO-2021148043-A1 | Nitrophenyl ether compound, preparation method therefor, pharmaceutical composition thereof, and use thereof | 20200120 |
CN-107474006-A | A kind of preparation method of 5 bromine isoindoline hydrochloride | 20170925 |
KR-101789430-B1 | Novel compound having SMO-inhibitory activity and composition for preventing or treating cancer comprising the same as an active ingredient | 20160628 |
WO-2018004213-A1 | Novel compound having smo inhibitory activity and composition comprising same as active ingredient for preventing or treating cancer | 20160628 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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