Cas no 631898-98-1 (Benzoic acid, 4-(bromomethyl)-, 4-formylphenyl ester)
631898-98-1 structure
Product Name:Benzoic acid, 4-(bromomethyl)-, 4-formylphenyl ester
CAS No:631898-98-1
MF:C15H11BrO3
MW:319.150043725967
CID:427079
PubChem ID:71381375
Update Time:2025-04-19
Benzoic acid, 4-(bromomethyl)-, 4-formylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(bromomethyl)-, 4-formylphenyl ester
- (4-formylphenyl) 4-(bromomethyl)benzoate
- 4-Formylphenyl 4-(bromomethyl)benzoate
- 631898-98-1
- DTXSID40803830
-
- Inchi： 1S/C15H11BrO3/c16-9-11-1-5-13(6-2-11)15(18)19-14-7-3-12(10-17)4-8-14/h1-8,10H,9H2
- InChI Key： UMLURWRGXOGKLN-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OC2C=CC(C=O)=CC=2)=CC=1
Computed Properties
- Exact Mass: 317.98913
- Monoisotopic Mass: 317.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 303
- 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: 3.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-(bromomethyl)-, 4-formylphenyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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