Basic information
- Standard SMILES
COC(=O)CC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1- InChIKey
SXFFQILYKHDSIZ-UHFFFAOYSA-N- Molecular formula
- C23H21BrO3
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.06740663
Names & identifiers
- Preferred name
- Methyl 3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoate
- IUPAC
- methyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoate
- English name
- Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester
- Molecular formula
- C23H21BrO3
- Molecular weight
- 425.32
Names & synonyms
156755-24-7Methyl 3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoateBenzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl estermethyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoateMETHYL 3-[2-(BENZYLOXY)-5-BROMOPHENYL]-3-PHENYLPROPANOATESXFFQILYKHDSIZ-UHFFFAOYSA-NMFCD16038976Benzenepropanoic acid, 5-bromo-b-phenyl-2-(phenylmethoxy)-, methyl ester, (+/-)-C23H21BrO3SCHEMBL1355279DTXSID501194621CS-B0083
Show more names
Benzenepropanoic acid, 5-bromo-β-phenyl-2-(phenylmethoxy)-, methyl esterzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl esterBenzenepropanoic acid, 5-broMo-b-phenyl-2-(phenylMethoxy)-, Methyl ester, (±)-
AKOS037650025CS-14110DB-325877F787667methyl 3-(2-benzyloxy-5-bromophenyl)-3-phenylpropanoatemethyl 3-(2-benzyloxy-5-bromo-phenyl)-3-phenyl-propanoateMethyl3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoateMethyl 5-bromo-I(2)-phenyl-2-(phenylmethoxy)benzenepropanoate
Database identifiers
- CAS
156755-24-7- PubChem CID
- 21476697
- DTXSID
DTXSID501194621
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 527 · 527.0±50.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
13 records
Linked notes
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