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114969-94-7 | Pyrimidine, 5-chloro-4-methoxy-
CAS No: 114969-94-7 Catalog No: AG000FIU MDL No:MFCD18415807
Product Description
Catalog Number:
AG000FIU
Chemical Name:
Pyrimidine, 5-chloro-4-methoxy-
CAS Number:
114969-94-7
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD18415807
IUPAC Name:
5-chloro-4-methoxypyrimidine
InChI:
InChI=1S/C5H5ClN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChI Key:
XNNJRXKCQCFXLP-UHFFFAOYSA-N
SMILES:
COc1ncncc1Cl
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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