Cas no 25800-29-7 (Benzoic acid,3-chloro-, propyl ester)
25800-29-7 structure
Product Name:Benzoic acid,3-chloro-, propyl ester
CAS No:25800-29-7
MF:C10H11ClO2
MW:198.646142244339
CID:276330
PubChem ID:249498
Update Time:2025-04-19
Benzoic acid,3-chloro-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-chloro-, propyl ester
- propyl 3-chlorobenzoate
- AC1L6OLF
- AC1Q66MT
- AR-1H9180
- Benzoic acid, 3-chloro, propyl ester
- NSC67895
- NSC-67895
- SureCN6057368
- DTXSID40290302
- propyl3-chlorobenzoate
- AKOS008948310
- HVJGKIOKRWTZLP-UHFFFAOYSA-N
- 25800-29-7
- SCHEMBL6057368
-
- Inchi： 1S/C10H11ClO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3
- InChI Key： HVJGKIOKRWTZLP-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C(=O)OCCC
Computed Properties
- Exact Mass: 198.04483
- Monoisotopic Mass: 198.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.152
- Boiling Point: 266.6°Cat760mmHg
- Flash Point: 124.2°C
- Refractive Index: 1.517
- PSA: 26.3
Benzoic acid,3-chloro-, propyl ester Related Literature
-
Carolina M. Natal,Maria José G. Fernandes,Nuno F. S. Pinto,Renato B. Pereira,Tatiana F. Vieira,Ana Rita O. Rodrigues,David M. Pereira,Sérgio F. Sousa,A. Gil Fortes,Elisabete M. S. Castanheira,M. Sameiro T. Gon?alves RSC Adv. 2021 11 34024
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