Cas no 1823967-17-4 ()
structure
Product Name:
CAS No:1823967-17-4
MF:C9H7ClN2
MW:178.618280649185
CID:6647977
PubChem ID:58717340
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C9H7ClN2/c1-6-2-3-8-7(4-6)5-11-12-9(8)10/h2-5H,1H3
- InChI Key： MJYOCLCUWRHYAM-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC(C)=CC2=CN=N1
Computed Properties
- Exact Mass: 178.0297759g/mol
- Monoisotopic Mass: 178.0297759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 163
- 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: 2.4
- Topological Polar Surface Area: 25.8?2
Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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