Cas no 177976-42-0 (1,1'-Biphenyl, 3-(chloromethyl)-4'-methoxy-)
177976-42-0 structure
Product Name:1,1'-Biphenyl, 3-(chloromethyl)-4'-methoxy-
CAS No:177976-42-0
MF:C14H13ClO
MW:232.705423116684
CID:1371396
PubChem ID:22340162
Update Time:2025-04-20
1,1'-Biphenyl, 3-(chloromethyl)-4'-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3-(chloromethyl)-4'-methoxy-
- 177976-42-0
- 3-(Chloromethyl)-4a(2)-methoxy-1,1a(2)-biphenyl
- DTXSID001272696
- SCHEMBL6477170
- AKOS002683444
-
- Inchi： 1S/C14H13ClO/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-9H,10H2,1H3
- InChI Key： HHTDFLDGRRRZQO-UHFFFAOYSA-N
- SMILES： ClCC1=CC=CC(=C1)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 232.06559
- Monoisotopic Mass: 232.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 199
- 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: 3.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,1'-Biphenyl, 3-(chloromethyl)-4'-methoxy- Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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