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126804-42-0 | Pyrimidine, 4,5-dichloro-6-methoxy-2-methyl-
CAS No: 126804-42-0 Catalog No: AG000T97 MDL No:
Product Description
Catalog Number:
AG000T97
Chemical Name:
Pyrimidine, 4,5-dichloro-6-methoxy-2-methyl-
CAS Number:
126804-42-0
Molecular Formula:
C6H6Cl2N2O
Molecular Weight:
193.0306
IUPAC Name:
4,5-dichloro-6-methoxy-2-methylpyrimidine
InChI:
InChI=1S/C6H6Cl2N2O/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3
InChI Key:
UCSMIPZTNATBOX-UHFFFAOYSA-N
SMILES:
COc1nc(C)nc(c1Cl)Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.027g/mol
Monoisotopic Mass:
191.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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