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1234201-67-2 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-[(2-methylphenyl)methyl]-
CAS No: 1234201-67-2 Catalog No: AG000KJJ MDL No:
Product Description
Catalog Number:
AG000KJJ
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-[(2-methylphenyl)methyl]-
CAS Number:
1234201-67-2
Molecular Formula:
C14H12ClN3
Molecular Weight:
257.7182
IUPAC Name:
4-chloro-6-[(2-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C14H12ClN3/c1-9-4-2-3-5-10(9)6-11-7-12-13(15)16-8-17-14(12)18-11/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChI Key:
IQEKAWUEVJNSRR-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cc1cc2c([nH]1)ncnc2Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.721g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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