Cas no 153929-32-9 (Benzoyl chloride,4-(1-oxopropyl)-)
153929-32-9 structure
Product Name:Benzoyl chloride,4-(1-oxopropyl)-
CAS No:153929-32-9
MF:C10H9ClO2
MW:196.630262136459
CID:106392
PubChem ID:21635202
Update Time:2025-04-18
Benzoyl chloride,4-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,4-(1-oxopropyl)-
- 4-propanoylbenzoyl chloride
- Benzoyl chloride, 4-(1-oxopropyl)- (9CI)
- SCHEMBL13908993
- DTXSID70616516
- 153929-32-9
-
- Inchi： 1S/C10H9ClO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h3-6H,2H2,1H3
- InChI Key： FNVTWOMZPWAQIA-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)C(CC)=O)=O
Computed Properties
- Exact Mass: 196.02917
- Monoisotopic Mass: 196.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 205
- 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: 2.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Benzoyl chloride,4-(1-oxopropyl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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