Cas no 557112-16-0 (1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)-)
![1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)- structure](https://ossimg.kuujia.com/scimg/557500/557112-16-0x500.png)
557112-16-0 structure
Product Name:1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)-
CAS No:557112-16-0
MF:C9H12BrNO2
MW:246.101081848145
CID:3208210
PubChem ID:86595487
Update Time:2025-04-21
1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)-
- DTXSID301213578
- (2R)-3-[(2-Bromo-3-pyridinyl)oxy]-2-methyl-1-propanol
- 557112-16-0
- (R)-3-(2-bromopyridine-3-yloxy)-2-methyl-1-propanol
- JGFSMGOLMZRPFO-SSDOTTSWSA-N
- SCHEMBL2859249
-
- Inchi： 1S/C9H12BrNO2/c1-7(5-12)6-13-8-3-2-4-11-9(8)10/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1
- InChI Key： JGFSMGOLMZRPFO-SSDOTTSWSA-N
- SMILES： BrC1C(=CC=CN=1)OC[C@H](C)CO
Computed Properties
- Exact Mass: 245.00514Da
- Monoisotopic Mass: 245.00514Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 146
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 42.4?2
1-PROPANOL, 3-[(2-BROMO-3-PYRIDINYL)OXY]-2-METHYL-, (2R)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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