Cas no 139963-13-6 (Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester)
139963-13-6 structure
Product Name:Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester
CAS No:139963-13-6
MF:C16H15BrO4
MW:351.191904306412
CID:1285184
PubChem ID:21762144
Update Time:2025-04-20
Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester
- methyl 2-bromo-5-methoxy-4-phenylmethoxybenzoate
- 139963-13-6
- DTXSID90617747
- Methyl 4-(benzyloxy)-2-bromo-5-methoxybenzoate
- SCHEMBL18690310
-
- Inchi： 1S/C16H15BrO4/c1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
- InChI Key： MFAJIFRJEGMYNB-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1C(=O)OC)OC)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 350.01535
- Monoisotopic Mass: 350.01537g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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