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87600-71-3 | Methyl 4,6-dichloropyrimidine-5-carboxylate
CAS No: 87600-71-3 Catalog No: AG004LZH MDL No:MFCD10698883
Product Description
Catalog Number:
AG004LZH
Chemical Name:
Methyl 4,6-dichloropyrimidine-5-carboxylate
CAS Number:
87600-71-3
Molecular Formula:
C6H4Cl2N2O2
Molecular Weight:
207.0142
MDL Number:
MFCD10698883
IUPAC Name:
methyl 4,6-dichloropyrimidine-5-carboxylate
InChI:
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)3-4(7)9-2-10-5(3)8/h2H,1H3
InChI Key:
XPIOIPGYUJMJKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ncnc1Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.01g/mol
Monoisotopic Mass:
205.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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