Cas no 18910-32-2 (Phenol,3-bromo-4-methoxy-2,5,6-trimethyl-)
18910-32-2 structure
Product Name:Phenol,3-bromo-4-methoxy-2,5,6-trimethyl-
CAS No:18910-32-2
MF:C10H13BrO2
MW:245.113022565842
CID:230374
PubChem ID:297364
Update Time:2025-04-19
Phenol,3-bromo-4-methoxy-2,5,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-bromo-4-methoxy-2,5,6-trimethyl-
- NSC168492
- NSC-168492
- DTXSID50304949
- 18910-32-2
- 3-bromo-4-methoxy-2,5,6-trimethylphenol
-
- Inchi: 1S/C10H13BrO2/c1-5-6(2)10(13-4)8(11)7(3)9(5)12/h12H,1-4H3
- InChI Key: CKJSBAQLECIWNO-UHFFFAOYSA-N
- SMILES: BrC1=C(C(C)=C(C)C(=C1C)O)OC
Computed Properties
- Exact Mass: 244.00989
- Monoisotopic Mass: 244.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol,3-bromo-4-methoxy-2,5,6-trimethyl- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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