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1190984-93-0 | 5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-6-(phenylmethyl)-
CAS No: 1190984-93-0 Catalog No: AG000I6D MDL No:MFCD08273927
Product Description
Catalog Number:
AG000I6D
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-6-(phenylmethyl)-
CAS Number:
1190984-93-0
Molecular Formula:
C13H12ClN3
Molecular Weight:
245.7075
MDL Number:
MFCD08273927
IUPAC Name:
6-benzyl-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine
InChI:
InChI=1S/C13H12ClN3/c14-13-11-7-17(8-12(11)15-9-16-13)6-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChI Key:
KHHHSELDDQTJGM-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1CN(C2)Cc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.71g/mol
Monoisotopic Mass:
245.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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