Cas no 125564-46-7 (Benzoyl chloride,4-acetyl-3-methyl-)
125564-46-7 structure
Product Name:Benzoyl chloride,4-acetyl-3-methyl-
CAS No:125564-46-7
MF:C10H9ClO2
MW:196.630262136459
CID:103529
PubChem ID:45081739
Update Time:2025-04-18
Benzoyl chloride,4-acetyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,4-acetyl-3-methyl-
- 4-acetyl-3-methylbenzoyl chloride
- Benzoyl chloride, 4-acetyl-3-methyl- (9CI)
- SCHEMBL21985528
- DTXSID10664819
- 125564-46-7
-
- Inchi： 1S/C10H9ClO2/c1-6-5-8(10(11)13)3-4-9(6)7(2)12/h3-5H,1-2H3
- InChI Key： HQVPQJPBLSUBDZ-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(C(C)=O)=C(C)C=1)=O
Computed Properties
- Exact Mass: 196.02917
- Monoisotopic Mass: 196.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 225
- 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
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 2.5
Experimental Properties
- PSA: 34.14
Benzoyl chloride,4-acetyl-3-methyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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