Ethyl 3-Bromo-2-(bromomethyl)benzoate - CAS 157652-24-9
Catalog: |
BB011338 |
Product Name: |
Ethyl 3-Bromo-2-(bromomethyl)benzoate |
CAS: |
157652-24-9 |
Synonyms: |
3-bromo-2-(bromomethyl)benzoic acid ethyl ester; ethyl 3-bromo-2-(bromomethyl)benzoate |
IUPAC Name: | ethyl 3-bromo-2-(bromomethyl)benzoate |
Description: | Ethyl 3-Bromo-2-(bromomethyl)benzoate (CAS# 157652-24-9 ) is a useful research chemical. |
Molecular Weight: | 321.99 |
Molecular Formula: | C10H10Br2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC=C1)Br)CBr |
InChI: | InChI=1S/C10H10Br2O2/c1-2-14-10(13)7-4-3-5-9(12)8(7)6-11/h3-5H,2,6H2,1H3 |
InChI Key: | PEEDOLWKGPCTRB-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
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 |
JP-2010120852-A | Novel diamide derivatives | 20070309 |
TW-200843751-A | Novel diamide derivative | 20070309 |
CN-1082790-C | Herbicides | 19930518 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.90271 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.90475 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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