Cas no 77894-16-7 ([1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-)
77894-16-7 structure
Product Name:[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-
CAS No:77894-16-7
MF:C15H13ClO3
MW:276.714923620224
CID:565096
PubChem ID:53814
Update Time:2025-04-19
[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-
- 2-[4-(4-chlorophenyl)-3-methoxyphenyl]acetic acid
- 4'-Chloro-6-methoxy-4-biphenylacetic acid
- (1,1'-Biphenyl)-4-acetic acid, 4'-chloro-2-methoxy-
- 4-BIPHENYLACETIC ACID, 4'-CHLORO-6-METHOXY-
- 4'-Chloro-2-methoxy-(1,1'-biphenyl)-4-acetic acid
- AC1L1FOU
- AG-H-12285
- BRN 5052428
- CHEMBL7288
- DTXSID00228520
- SCHEMBL11363872
- 77894-16-7
-
- Inchi: 1S/C15H13ClO3/c1-19-14-8-10(9-15(17)18)2-7-13(14)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
- InChI Key: KCDIBJVGCJHBGU-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)C1C=CC(CC(=O)O)=CC=1OC
Computed Properties
- Exact Mass: 276.05539
- Monoisotopic Mass: 276.055322
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 300
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 3.6
Experimental Properties
- Density: 1.268
- Boiling Point: 414.7°C at 760 mmHg
- Flash Point: 204.6°C
- Refractive Index: 1.589
- PSA: 46.53
[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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