Home Halogens 5-Pyrimidinecarboxylic acid, 2-chloro-4,6-dimethyl-, ethyl ester

5-Pyrimidinecarboxylic acid, 2-chloro-4,6-dimethyl-, ethyl ester

CAS No.:
108381-23-3
Catalog Number:
AG00HB65
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
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Product Description
Catalog Number:
AG00HB65
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-chloro-4,6-dimethyl-, ethyl ester
CAS Number:
108381-23-3
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD22572316
IUPAC Name:
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
InChI:
InChI=1S/C9H11ClN2O2/c1-4-14-8(13)7-5(2)11-9(10)12-6(7)3/h4H2,1-3H3
InChI Key:
QWWCHVHQVYFMJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(nc1C)Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties