Cas no 150807-86-6 (Pentanenitrile, 4-chloro-4-(chloromethyl)-5-oxo-)
150807-86-6 structure
Product Name:Pentanenitrile, 4-chloro-4-(chloromethyl)-5-oxo-
CAS No:150807-86-6
MF:C6H7Cl2NO
MW:180.031879663467
CID:3793783
PubChem ID:10932027
Update Time:2025-04-22
Pentanenitrile, 4-chloro-4-(chloromethyl)-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Pentanenitrile, 4-chloro-4-(chloromethyl)-5-oxo-
- 2-Chloro-2-chloromethyl-4-cyanobutyraldehyde
- SCHEMBL9360149
- 4,5-Dichloro-4-formylpentanenitrile
- 150807-86-6
- MBMUQLSGBUUJLZ-UHFFFAOYSA-N
-
- Inchi： 1S/C6H7Cl2NO/c7-4-6(8,5-10)2-1-3-9/h5H,1-2,4H2
- InChI Key： MBMUQLSGBUUJLZ-UHFFFAOYSA-N
- SMILES： C(#N)CCC(Cl)(CCl)C=O
Computed Properties
- Exact Mass: 178.9904692Da
- Monoisotopic Mass: 178.9904692Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 162
- 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: 0.8
- Topological Polar Surface Area: 40.9?2
Pentanenitrile, 4-chloro-4-(chloromethyl)-5-oxo- Related Literature
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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