Cas no 42571-84-6 (Carbonochloridic acid,3-methyl-5-(1-methylethyl)phenyl ester)
42571-84-6 structure
Product Name:Carbonochloridic acid,3-methyl-5-(1-methylethyl)phenyl ester
CAS No:42571-84-6
MF:C11H13ClO2
MW:212.672722578049
CID:329965
PubChem ID:5743479
Update Time:2025-04-19
Carbonochloridic acid,3-methyl-5-(1-methylethyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonochloridic acid,3-methyl-5-(1-methylethyl)phenyl ester
- (3-methyl-5-propan-2-ylphenyl) carbonochloridate
- 5-isopropyl-3-methylphenyl chloroformate
- DTXSID10195350
- SCHEMBL5836310
- 42571-84-6
- NS00031214
- EINECS 255-890-5
- AKOS020226190
-
- Inchi： 1S/C11H13ClO2/c1-7(2)9-4-8(3)5-10(6-9)14-11(12)13/h4-7H,1-3H3
- InChI Key： BBPDRHBZXDFJBM-UHFFFAOYSA-N
- SMILES： ClC(=O)OC1C=C(C)C=C(C=1)C(C)C
Computed Properties
- Exact Mass: 212.0604073g/mol
- Monoisotopic Mass: 212.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 204
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Carbonochloridic acid,3-methyl-5-(1-methylethyl)phenyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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