Cas no 129250-89-1 ([3-(bromomethyl)phenyl] Benzoate)
![[3-(bromomethyl)phenyl] Benzoate structure](https://ossimg.kuujia.com/scimg/129500/129250-89-1x500.png)
129250-89-1 structure
Product Name:[3-(bromomethyl)phenyl] Benzoate
CAS No:129250-89-1
MF:C14H11BrO2
MW:291.139943361282
CID:1224382
PubChem ID:2052131
Update Time:2025-04-20
[3-(bromomethyl)phenyl] Benzoate Chemical and Physical Properties
Names and Identifiers
-
- [3-(bromomethyl)phenyl] Benzoate
- STL115515
- 3-Benzoyloxybenzyl bromide
- Benzoic acid 3-bromomethyl-phenyl ester
- CTK5I9847
- 3-(benzoyloxy)benzyl bromide
- α-bromo-3-methylphenyl benzoate
- 3-(bromomethyl)phenyl benzoate
- AC1M0LGB
- SureCN4216005
- AKOS BB-4931
- 129250-89-1
- benzoic acid 3-bromomethylphenyl ester
- VJGOZOYBJUTQKK-UHFFFAOYSA-N
- SCHEMBL4216005
- AKOS003591050
- DTXSID40366011
-
- Inchi： 1S/C14H11BrO2/c15-10-11-5-4-8-13(9-11)17-14(16)12-6-2-1-3-7-12/h1-9H,10H2
- InChI Key： VJGOZOYBJUTQKK-UHFFFAOYSA-N
- SMILES： BrCC1C=CC=C(C=1)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 289.99400
- Monoisotopic Mass: 289.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.80070
[3-(bromomethyl)phenyl] Benzoate Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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