Cas no 365572-35-6 (Benzeneacetonitrile, 2-bromo-4-methoxy-5-(1-methylethoxy)-)
365572-35-6 structure
Product Name:Benzeneacetonitrile, 2-bromo-4-methoxy-5-(1-methylethoxy)-
CAS No:365572-35-6
MF:C12H14BrNO2
MW:284.149062633514
CID:1474127
PubChem ID:11822156
Update Time:2025-04-20
Benzeneacetonitrile, 2-bromo-4-methoxy-5-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, 2-bromo-4-methoxy-5-(1-methylethoxy)-
- 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)acetonitrile
- AKOS000277737
- 365572-35-6
- DTXSID90473840
- HMIMQSYMUHXERW-UHFFFAOYSA-N
- 2-Bromo-4-methoxy-5-(1-methylethoxy)benzene Acetonitrile
- SCHEMBL5361609
-
- Inchi： 1S/C12H14BrNO2/c1-8(2)16-12-6-9(4-5-14)10(13)7-11(12)15-3/h6-8H,4H2,1-3H3
- InChI Key： HMIMQSYMUHXERW-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=CC=1CC#N)OC(C)C)OC
Computed Properties
- Exact Mass: 283.02082
- Monoisotopic Mass: 283.02079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 261
- 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
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
Benzeneacetonitrile, 2-bromo-4-methoxy-5-(1-methylethoxy)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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