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13223-25-1 | Pyrimidine, 2-chloro-4,6-dimethoxy-
CAS No: 13223-25-1 Catalog No: AG0010FF MDL No:MFCD00274530
Product Description
Catalog Number:
AG0010FF
Chemical Name:
Pyrimidine, 2-chloro-4,6-dimethoxy-
CAS Number:
13223-25-1
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD00274530
IUPAC Name:
2-chloro-4,6-dimethoxypyrimidine
InChI:
InChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3
InChI Key:
PBEKEFWBLFBSGQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Cl
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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