Cas no 100477-79-0 (Phenol, 2,6-dibromo-3-methyl-)
Phenol, 2,6-dibromo-3-methyl- structure
Product Name:Phenol, 2,6-dibromo-3-methyl-
CAS No:100477-79-0
MF:C7H6Br2O
MW:265.929940700531
CID:1126870
PubChem ID:12336213
Update Time:2025-04-20
Phenol, 2,6-dibromo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-dibromo-3-methyl-
- 2,6-Dibrom-3-methylphenol
- DTXSID801311557
- 100477-79-0
- JGYFQPUFRRBIDT-UHFFFAOYSA-N
- SCHEMBL11611309
- 2,6-dibromo-3-methylphenol
-
- Inchi： 1S/C7H6Br2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
- InChI Key： JGYFQPUFRRBIDT-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=CC=1C)Br)O
Computed Properties
- Exact Mass: 263.87848
- Monoisotopic Mass: 263.87854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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: 3.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2,6-dibromo-3-methyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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