Cas no 147003-97-2 (Quinazoline,4-chloro-2-(chloromethyl)-6-fluoro-)
147003-97-2 structure
Product Name:Quinazoline,4-chloro-2-(chloromethyl)-6-fluoro-
CAS No:147003-97-2
MF:C9H5Cl2FN2
MW:231.05380320549
CID:105434
PubChem ID:20094119
Update Time:2025-04-18
Quinazoline,4-chloro-2-(chloromethyl)-6-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Quinazoline,4-chloro-2-(chloromethyl)-6-fluoro-
- 4-chloro-2-(chloromethyl)-6-fluoroquinazoline
- QUINAZOLINE, 4-CHLORO-2-(CHLOROMETHYL)-6-FLUORO-
- 4-chloro-2-chloromethyl-6-fluoroquinazoline
- 147003-97-2
- ANLNVUDMKOGLGM-UHFFFAOYSA-N
- SCHEMBL3113631
-
- Inchi： 1S/C9H5Cl2FN2/c10-4-8-13-7-2-1-5(12)3-6(7)9(11)14-8/h1-3H,4H2
- InChI Key： ANLNVUDMKOGLGM-UHFFFAOYSA-N
- SMILES： ClC1=C2C=C(C=CC2=NC(CCl)=N1)F
Computed Properties
- Exact Mass: 229.98155
- Monoisotopic Mass: 229.9813817g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 516
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Quinazoline,4-chloro-2-(chloromethyl)-6-fluoro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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