Cas no 59760-87-1 (4(3H)-Quinazolinone, 3-(2-chloroethyl)-2-methyl-)
59760-87-1 structure
Product Name:4(3H)-Quinazolinone, 3-(2-chloroethyl)-2-methyl-
CAS No:59760-87-1
MF:C11H11ClN2O
MW:222.67084145546
CID:337356
PubChem ID:4778161
Update Time:2025-04-19
4(3H)-Quinazolinone, 3-(2-chloroethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Quinazolinone, 3-(2-chloroethyl)-2-methyl-
- 3-(2-chloroethyl)-2-methylquinazolin-4-one
- 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one
- DTXSID50406492
- SCHEMBL1544971
- PMLBBMXYNJQOIS-UHFFFAOYSA-N
- 3-(2-chloroethyl)-2-methyl-3H-4-quinazolinone
- 3-(2-chloroethyl)-2-methyl-3 H-4-quinazolinone
- 3-(2-chloroethyl)-2-methyl-3,4-dihydroquinazolin-4-one
- 59760-87-1
- 3-(2-chloroethyl)-2-methyl-3H-4quinazolinone
-
- Inchi： 1S/C11H11ClN2O/c1-8-13-10-5-3-2-4-9(10)11(15)14(8)7-6-12/h2-5H,6-7H2,1H3
- InChI Key： PMLBBMXYNJQOIS-UHFFFAOYSA-N
- SMILES： ClCCN1C(C2C=CC=CC=2N=C1C)=O
Computed Properties
- Exact Mass: 222.05613
- Monoisotopic Mass: 222.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 1.5
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
4(3H)-Quinazolinone, 3-(2-chloroethyl)-2-methyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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