Cas no 32326-40-2 (Benzene, 2-bromo-1-methoxy-4-(1-methylpropyl)-)
32326-40-2 structure
Product Name:Benzene, 2-bromo-1-methoxy-4-(1-methylpropyl)-
CAS No:32326-40-2
MF:C11H15BrO
MW:243.140202760696
CID:1450020
PubChem ID:66602978
Update Time:2025-04-20
Benzene, 2-bromo-1-methoxy-4-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1-methoxy-4-(1-methylpropyl)-
- 2-bromo-4-(sec-butyl)-1-methoxybenzene
- 2-bromo-4-sec-butyl-1-methoxy-benzene
- SCHEMBL130183
- 32326-40-2
- NULFUFRMDMTFBP-UHFFFAOYSA-N
-
- Inchi： 1S/C11H15BrO/c1-4-8(2)9-5-6-11(13-3)10(12)7-9/h5-8H,4H2,1-3H3
- InChI Key： NULFUFRMDMTFBP-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)C(C)CC)OC
Computed Properties
- Exact Mass: 242.03065
- Monoisotopic Mass: 242.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 149
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 2-bromo-1-methoxy-4-(1-methylpropyl)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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