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29877-77-8 | 4-chloro-7-methyl-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 29877-77-8 Catalog No: AG01FFRU MDL No:
Product Description
Catalog Number:
AG01FFRU
Chemical Name:
4-chloro-7-methyl-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
29877-77-8
IUPAC Name:
4-chloro-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H8ClN3S/c1-12-4-3-5-6(9)10-8(13-2)11-7(5)12/h3-4H,1-2H3
InChI Key:
NFHCQENDQIZPMU-UHFFFAOYSA-N
NSC Number:
126311
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.683g/mol
Monoisotopic Mass:
213.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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