Cas no 457-79-4 (Carbamic acid,(4-fluorophenyl)-, 1-methylethyl ester (9CI))
457-79-4 structure
Product Name:Carbamic acid,(4-fluorophenyl)-, 1-methylethyl ester (9CI)
CAS No:457-79-4
MF:C10H12FNO2
MW:197.206186294556
CID:332580
PubChem ID:242740
Update Time:2025-04-19
Carbamic acid,(4-fluorophenyl)-, 1-methylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(4-fluorophenyl)-, 1-methylethyl ester (9CI)
- isopropyl (4-fluorophenyl)carbamate
- (4-fluoro-phenyl)-carbamic acid isopropyl ester
- (4-Fluor-phenyl)-carbamidsaeure-
- AC1LB2IQ
- Carbamic acid, (3-methylphenyl)-, ethyl ester
- carbamic acid, (4-fluorophenyl)-, 1-methylethyl ester
- Carbamic acid, 3-methylphenyl-, ethyl ester
- CTK2E1723
- ethyl N-(m-tolyl)carbamate
- m-tolyl-carbamic acid ethyl ester
- m-Tolyl-carbamidsaeure-aethylester
- m-Tolyl-urethan
- N-< 4-Fluor-phenyl> -isopropylurethan
- SureCN3424143
- DTXSID40963428
- Propan-2-yl (4-fluorophenyl)carbamate
- NSC-51611
- AKOS001026880
- Z55310390
- NSC51611
- SCHEMBL17904708
- isopropyl 4-fluorophenylcarbamate
- 457-79-4
-
- Inchi: 1S/C10H12FNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
- InChI Key: XTCWVXQYEJCVEN-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)NC(=O)OC(C)C
Computed Properties
- Exact Mass: 197.08526
- Monoisotopic Mass: 197.08520679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 2.7
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbamic acid,(4-fluorophenyl)-, 1-methylethyl ester (9CI) Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
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
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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