Cas no 155030-52-7 (Benzoic acid, 4-(bromomethyl)-, 2-propenyl ester)
155030-52-7 structure
Product Name:Benzoic acid, 4-(bromomethyl)-, 2-propenyl ester
CAS No:155030-52-7
MF:C11H11BrO2
MW:255.107842683792
CID:1329812
PubChem ID:19605361
Update Time:2025-04-20
Benzoic acid, 4-(bromomethyl)-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(bromomethyl)-, 2-propenyl ester
- prop-2-enyl 4-(bromomethyl)benzoate
- Allyl 4-(bromomethyl)benzoate
- DTXSID40599009
- 155030-52-7
- ZZTZFWQBSIBRSW-UHFFFAOYSA-N
- Prop-2-en-1-yl 4-(bromomethyl)benzoate
- SCHEMBL513603
-
- Inchi： 1S/C11H11BrO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h2-6H,1,7-8H2
- InChI Key： ZZTZFWQBSIBRSW-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OCC=C)=CC=1
Computed Properties
- Exact Mass: 253.99423
- Monoisotopic Mass: 253.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 196
- 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
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-(bromomethyl)-, 2-propenyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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