Cas no 40781-36-0 (Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI))
40781-36-0 structure
Product Name:Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI)
CAS No:40781-36-0
MF:C10H9ClN2O
MW:208.64426112175
CID:332703
PubChem ID:3792689
Update Time:2025-04-19
Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI)
- 2-CHLORO-N-(4-CYANOPHENYL)PROPANAMIDE
- AC1MXMDV
- AC1Q2AWN
- AG-F-44824
- CTK4I3742
- EN300-08453
- SR-01000047893-1
- 572881-44-8
- SR-01000047893
- MFCD04626519
- Z56949581
- SB77595
- CS-0221146
- Propanamide, 2-chloro-N-(4-cyanophenyl)-
- 40781-36-0
- AKOS000117880
- SCHEMBL17538666
- AKOS017269055
- DTXSID10396481
-
- Inchi： 1S/C10H9ClN2O/c1-7(11)10(14)13-9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H,13,14)
- InChI Key： YJKWYWDSLSGVDW-UHFFFAOYSA-N
- SMILES： ClC(C)C(NC1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 208.04
- Monoisotopic Mass: 208.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 2.4
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.25
- Boiling Point: 418.3°Cat760mmHg
- Flash Point: 206.8°C
- Refractive Index: 1.56
Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Crysdot LLC | CD12074101-1g |
2-Chloro-N-(4-cyanophenyl)propanamide |
40781-36-0 | 97% | 1g |
$301 | 2024-07-24 |
Propanamide,2-chloro-N-(4-cyanophenyl)-, (S)- (9CI) Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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