Cas no 535961-75-2 (Benzoyl chloride, 2-methyl-6-propyl- (9CI))
535961-75-2 structure
Product Name:Benzoyl chloride, 2-methyl-6-propyl- (9CI)
CAS No:535961-75-2
MF:C11H13ClO
MW:196.673322439194
CID:938790
PubChem ID:22920230
Update Time:2025-04-19
Benzoyl chloride, 2-methyl-6-propyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-6-propylbenzoyl chloride
- Benzoyl chloride, 2-methyl-6-propyl- (9CI)
- DTXSID30628918
- SCHEMBL7420497
- 535961-75-2
- DB-326009
- Benzoyl chloride, 2-methyl-6-propyl-
- Benzoyl chloride,2-methyl-6-propyl-(9ci)
-
- Inchi： 1S/C11H13ClO/c1-3-5-9-7-4-6-8(2)10(9)11(12)13/h4,6-7H,3,5H2,1-2H3
- InChI Key： MYQBVBNOJORERI-UHFFFAOYSA-N
- SMILES： ClC(C1C(C)=CC=CC=1CCC)=O
Computed Properties
- Exact Mass: 196.0654927g/mol
- Monoisotopic Mass: 196.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 179
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Benzoyl chloride, 2-methyl-6-propyl- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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