Cas no 105170-52-3 (Benzonitrile, 3,5-dibromo-4-iodo-)
105170-52-3 structure
Product Name:Benzonitrile, 3,5-dibromo-4-iodo-
CAS No:105170-52-3
MF:C7H2Br2IN
MW:386.809952259064
CID:3574161
PubChem ID:14673568
Update Time:2025-04-22
Benzonitrile, 3,5-dibromo-4-iodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3,5-dibromo-4-iodo-
- 105170-52-3
- 3,5-dibromo-4-iodobenzonitrile
- SCHEMBL3215071
-
- Inchi: 1S/C7H2Br2IN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
- InChI Key: GHPZWUGPJIKRHD-UHFFFAOYSA-N
- SMILES: C(#N)C1=CC(Br)=C(I)C(Br)=C1
Computed Properties
- Exact Mass: 386.75782Da
- Monoisotopic Mass: 384.75987Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 3.7
- Topological Polar Surface Area: 23.8?2
Benzonitrile, 3,5-dibromo-4-iodo- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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