Cas no 871917-79-2 (Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester)
![Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester structure](https://ossimg.kuujia.com/scimg/872000/871917-79-2x500.png)
871917-79-2 structure
Product Name:Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester
CAS No:871917-79-2
MF:C19H15F6NO3
MW:419.317726373672
CID:1865814
Update Time:2023-03-23
Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester
- BENZYL {(1S)-2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-1-METHYL-2-OXOETHYL}CARBAMATE
- CarbaMic acid, N-[(1S)-2-[3,5-bis(trifluoroMethyl)phenyl]-1-Methyl-2-oxoethyl]-, phenylMethyl ester
- [(1S)-2-[3,5-Bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]carbamic acid phenylmethyl ester
- ICVQXOOPOAIZIA-NSHDSACASA-N
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- Inchi： 1S/C19H15F6NO3/c1-11(26-17(28)29-10-12-5-3-2-4-6-12)16(27)13-7-14(18(20,21)22)9-15(8-13)19(23,24)25/h2-9,11H,10H2,1H3,(H,26,28)/t11-/m0/s1
- InChI Key： ICVQXOOPOAIZIA-NSHDSACASA-N
- SMILES： C(OCC1=CC=CC=C1)(=O)N[C@@H](C)C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 9
Carbamic acid,[(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-,phenylmethyl ester 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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Wan Lab Chip, 2020,20, 4528-4538
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