Cas no 1523-17-7 (Phenol, 4-bromo-,1-benzoate)
Phenol, 4-bromo-,1-benzoate structure
Product Name:Phenol, 4-bromo-,1-benzoate
CAS No:1523-17-7
MF:C13H9BrO2
MW:277.113363027573
CID:218822
PubChem ID:264661
Update Time:2025-04-19
Phenol, 4-bromo-,1-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-bromo-,1-benzoate
- (4-bromophenyl) benzoate
- (4-Brom-phenyl)-benzoat
- 1-Benzoyloxy-4-bromobenzene
- 4-bromophenyl benzoate
- AC1L6CAL
- AK-918
- Benzoesaeure-(4-brom-phenylester)
- benzoic acid 4-bromo-phenyl ester
- benzoic acid-(4-bromo-phenyl ester)
- NSC99839
- p-bromophenyl benzoate
- Phenol, p-bromo-, benzoate
- SureCN6060174
- 1523-17-7
- AK-918/42193190
- AKOS003042951
- SCHEMBL6060174
- NSC-408919
- OHWWOZGHMUITKG-UHFFFAOYSA-N
- NSC408919
- DTXSID00295136
- NSC-99839
-
- Inchi： 1S/C13H9BrO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H
- InChI Key： OHWWOZGHMUITKG-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 275.97857
- Monoisotopic Mass: 275.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 228
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.465
- Boiling Point: 359.4°Cat760mmHg
- Flash Point: 171.1°C
- Refractive Index: 1.61
- PSA: 26.3
Phenol, 4-bromo-,1-benzoate Related Literature
-
M. S. Abdul-quadir,R. van der Westhuizen,W. Welthagen,E. E. Ferg,Z. R. Tshentu,A. S. Ogunlaja New J. Chem. 2018 42 13135
-
Lili Shi,Hongxin Liu,Luqiong Huo,Yaqian Dang,Yu Wang,Bao Yang,Shengxiang Qiu,Haibo Tan Org. Chem. Front. 2018 5 1312
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