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1330044-02-4 | Pyrimidine, 5-chloro-2-ethynyl-4-methoxy-
CAS No: 1330044-02-4 Catalog No: AG0011IB MDL No:
Product Description
Catalog Number:
AG0011IB
Chemical Name:
Pyrimidine, 5-chloro-2-ethynyl-4-methoxy-
CAS Number:
1330044-02-4
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
IUPAC Name:
5-chloro-2-ethynyl-4-methoxypyrimidine
InChI:
InChI=1S/C7H5ClN2O/c1-3-6-9-4-5(8)7(10-6)11-2/h1,4H,2H3
InChI Key:
RLQCPMGJOAEIKM-UHFFFAOYSA-N
SMILES:
COc1nc(C#C)ncc1Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.58g/mol
Monoisotopic Mass:
168.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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