Cas no 72912-39-1 (BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-)
72912-39-1 structure
Product Name:BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-
CAS No:72912-39-1
MF:C10H10BrNO2
MW:256.095901966095
CID:3371731
PubChem ID:10706206
Update Time:2025-04-21
BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-
- DTXSID301276142
- AKOS022665275
- F94688
- SCHEMBL150075
- 2-Bromo-3,4-dimethoxybenzeneacetonitrile
- Z600583798
- 72912-39-1
- 2-(2-bromo-3,4-dimethoxyphenyl)acetonitrile
-
- Inchi: 1S/C10H10BrNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5H2,1-2H3
- InChI Key: DUDRWPAFARHZKZ-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C=CC=1CC#N)OC)OC
Computed Properties
- Exact Mass: 254.98949Da
- Monoisotopic Mass: 254.98949Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 2.2
- Topological Polar Surface Area: 42.3?2
BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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