Cas no 944902-25-4 (ethyl 5-(chloromethyl)pyrimidine-2-carboxylate)
944902-25-4 structure
Product Name:ethyl 5-(chloromethyl)pyrimidine-2-carboxylate
CAS No:944902-25-4
MF:C8H9ClN2O2
MW:200.622260808945
CID:1012003
PubChem ID:53418791
Update Time:2025-04-20
ethyl 5-(chloromethyl)pyrimidine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5-(chloromethyl)pyrimidine-2-carboxylate
- 944902-25-4
- AB58925
-
- MDL: MFCD10697070
- Inchi: 1S/C8H9ClN2O2/c1-2-13-8(12)7-10-4-6(3-9)5-11-7/h4-5H,2-3H2,1H3
- InChI Key: CTWLFGJZISULHA-UHFFFAOYSA-N
- SMILES: ClCC1C=NC(C(=O)OCC)=NC=1
Computed Properties
- Exact Mass: 200.0352552g/mol
- Monoisotopic Mass: 200.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 0.1
- Topological Polar Surface Area: 52.1?2
ethyl 5-(chloromethyl)pyrimidine-2-carboxylate Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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