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123551-49-5 | Pyrimidine, 5-chloro-2,4-dimethoxy-
CAS No: 123551-49-5 Catalog No: AG000KT0 MDL No:MFCD13619877
Product Description
Catalog Number:
AG000KT0
Chemical Name:
Pyrimidine, 5-chloro-2,4-dimethoxy-
CAS Number:
123551-49-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD13619877
IUPAC Name:
5-chloro-2,4-dimethoxypyrimidine
InChI:
InChI=1S/C6H7ClN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChI Key:
NEAICPKWHCRGIM-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)OC)Cl
Properties
Complexity:
125
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:
1.4
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