Cas no 62524-23-6 (Phenol, 2-chloro-6-sec-hexyl-4-methyl-)
62524-23-6 structure
Product Name:Phenol, 2-chloro-6-sec-hexyl-4-methyl-
CAS No:62524-23-6
MF:C13H19ClO
MW:226.742363214493
CID:441679
PubChem ID:71385576
Update Time:2025-04-19
Phenol, 2-chloro-6-sec-hexyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-chloro-6-sec-hexyl-4-methyl-
- 2-chloro-6-hexan-2-yl-4-methylphenol
- DTXSID70807801
- 62524-23-6
- 2-CHLORO-6-(HEXAN-2-YL)-4-METHYLPHENOL
-
- Inchi： 1S/C13H19ClO/c1-4-5-6-10(3)11-7-9(2)8-12(14)13(11)15/h7-8,10,15H,4-6H2,1-3H3
- InChI Key： NGTSZTWEWBUWOY-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)C=C(C=1O)C(C)CCCC
Computed Properties
- Exact Mass: 226.11257
- Monoisotopic Mass: 226.1124429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2-chloro-6-sec-hexyl-4-methyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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