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18127-43-0 | 4-PyriMidinecarboxylic acid, 2,6-dichloro-, ethyl ester
CAS No: 18127-43-0 Catalog No: AG0022SR MDL No:MFCD11044601
Product Description
Catalog Number:
AG0022SR
Chemical Name:
4-PyriMidinecarboxylic acid, 2,6-dichloro-, ethyl ester
CAS Number:
18127-43-0
Molecular Formula:
C7H6Cl2N2O2
Molecular Weight:
221.0407
MDL Number:
MFCD11044601
IUPAC Name:
ethyl 2,6-dichloropyrimidine-4-carboxylate
InChI:
InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-5(8)11-7(9)10-4/h3H,2H2,1H3
InChI Key:
YPXGMTVJJQHIMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)nc(n1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.037g/mol
Monoisotopic Mass:
219.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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