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1165931-72-5 | 4-Pyrimidinecarboxylic acid, 5,6-dichloro-2-cyclopropyl-, methyl ester
CAS No: 1165931-72-5 Catalog No: AG000CU2 MDL No:
Product Description
Catalog Number:
AG000CU2
Chemical Name:
4-Pyrimidinecarboxylic acid, 5,6-dichloro-2-cyclopropyl-, methyl ester
CAS Number:
1165931-72-5
Molecular Formula:
C9H8Cl2N2O2
Molecular Weight:
247.0780
IUPAC Name:
methyl 5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylate
InChI:
InChI=1S/C9H8Cl2N2O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3
InChI Key:
LCBDTKPUPFVVOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(nc(c1Cl)Cl)C1CC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.075g/mol
Monoisotopic Mass:
245.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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