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1263363-54-7 | Pyrido[3,2-d]pyrimidine, 4-chloro-7-methoxy-6-(methylthio)-
CAS No: 1263363-54-7 Catalog No: AG000SNX MDL No:MFCD20258139
Product Description
Catalog Number:
AG000SNX
Chemical Name:
Pyrido[3,2-d]pyrimidine, 4-chloro-7-methoxy-6-(methylthio)-
CAS Number:
1263363-54-7
Molecular Formula:
C9H8ClN3OS
Molecular Weight:
241.6973
MDL Number:
MFCD20258139
IUPAC Name:
4-chloro-6-methylsulfanylpyrido[3,2-d]pyrimidine
InChI:
InChI=1S/C8H6ClN3S/c1-13-6-3-2-5-7(12-6)8(9)11-4-10-5/h2-4H,1H3
InChI Key:
WBWKJHLDHMYKBE-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2nc1SC)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.667g/mol
Monoisotopic Mass:
210.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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