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1823869-53-9 | 5-Pyrimidinecarbonitrile, 4-chloro-2-methoxy-
CAS No: 1823869-53-9 Catalog No: AG0023QZ MDL No:
Product Description
Catalog Number:
AG0023QZ
Chemical Name:
5-Pyrimidinecarbonitrile, 4-chloro-2-methoxy-
CAS Number:
1823869-53-9
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
IUPAC Name:
4-chloro-2-methoxypyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H4ClN3O/c1-11-6-9-3-4(2-8)5(7)10-6/h3H,1H3
InChI Key:
DGCBTBNJYDUXPP-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)Cl)C#N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.568g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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