Cas no 177976-34-0 (1,1'-Biphenyl, 3-(chloromethyl)-4'-fluoro-)
177976-34-0 structure
Product Name:1,1'-Biphenyl, 3-(chloromethyl)-4'-fluoro-
CAS No:177976-34-0
MF:C13H10ClF
MW:220.669906139374
CID:1366506
PubChem ID:21186095
Update Time:2025-04-20
1,1'-Biphenyl, 3-(chloromethyl)-4'-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3-(chloromethyl)-4'-fluoro-
- AKOS002683404
- 3-(Chloromethyl)-4a(2)-fluoro-1,1a(2)-biphenyl
- DTXSID701273752
- 177976-34-0
- SCHEMBL6488717
-
- Inchi： 1S/C13H10ClF/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,9H2
- InChI Key： MXJXTNWYRKHFJH-UHFFFAOYSA-N
- SMILES： ClCC1=CC=CC(=C1)C1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 220.0456
- Monoisotopic Mass: 220.0455062g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 187
- 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
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,1'-Biphenyl, 3-(chloromethyl)-4'-fluoro- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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