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1240619-26-4 | Pyrimidine, 4-chloro-5-fluoro-2-methoxy-6-methyl-
CAS No: 1240619-26-4 Catalog No: AG000LHW MDL No:
Product Description
Catalog Number:
AG000LHW
Chemical Name:
Pyrimidine, 4-chloro-5-fluoro-2-methoxy-6-methyl-
CAS Number:
1240619-26-4
Molecular Formula:
C6H6ClFN2O
Molecular Weight:
176.5760
IUPAC Name:
4-chloro-5-fluoro-2-methoxy-6-methylpyrimidine
InChI:
InChI=1S/C6H6ClFN2O/c1-3-4(8)5(7)10-6(9-3)11-2/h1-2H3
InChI Key:
DGCIWNZTUMJDPE-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(n1)Cl)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.575g/mol
Monoisotopic Mass:
176.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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