Cas no 2698-39-7 (Acetic acid,2-(4-chloro-2-methylphenoxy)-, propyl ester)
2698-39-7 structure
Product Name:Acetic acid,2-(4-chloro-2-methylphenoxy)-, propyl ester
CAS No:2698-39-7
MF:C12H15ClO3
MW:242.698703050613
CID:260180
PubChem ID:75910
Update Time:2025-04-19
Acetic acid,2-(4-chloro-2-methylphenoxy)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(4-chloro-2-methylphenoxy)-, propyl ester
- propyl 2-(4-chloro-2-methylphenoxy)acetate
- (4-Chlor-2-methyl-phenoxy)-essigsaeure-propylester
- (4-chloro-2-methyl-phenoxy)-acetic acid propyl ester
- AC1L2PS7
- AC1Q3LVD
- AR-1L2466
- EINECS 220-276-8
- NCIOpen2_004300
- NSC78913
- Propyl (4-chloro-2-methylphenoxy)acetate
- DVMRDJHXBLTNCC-UHFFFAOYSA-N
- NSC 78913
- Acetic acid, (4-chloro-2-methylphenoxy)-, propyl ester
- DTXSID20181481
- 2M-4C, propyl ester
- NSC-78913
- AKOS017088575
- propyl(4-chloro-2-methylphenoxy)acetate
- Acetic acid, 2-(4-chloro-2-methylphenoxy)-, propyl ester
- 3MP6M2T7EM
- NS00028241
- Acetic acid, [(4-chloro-o-tolyl)oxy]-, propyl ester
- AI3-16675
- 2698-39-7
- Propyl 2-methyl-4-chlorophenoxyacetate
-
- Inchi： 1S/C12H15ClO3/c1-3-6-15-12(14)8-16-11-5-4-10(13)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3
- InChI Key： DVMRDJHXBLTNCC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C)C=1)OCC(=O)OCCC
Computed Properties
- Exact Mass: 242.07105
- Monoisotopic Mass: 242.0709720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 220
- 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: 3.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 2.98040
Acetic acid,2-(4-chloro-2-methylphenoxy)-, propyl ester Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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