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1638772-13-0 | 7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-5,7-dimethyl-
CAS No: 1638772-13-0 Catalog No: AG001UIK MDL No:MFCD27987637
Product Description
Catalog Number:
AG001UIK
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-5,7-dimethyl-
CAS Number:
1638772-13-0
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD27987637
IUPAC Name:
2-chloro-5,7-dimethylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H8ClN3/c1-5-4-12(2)7-6(5)3-10-8(9)11-7/h3-4H,1-2H3
InChI Key:
GMMYPRJUKOJETH-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)n(C)cc2C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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