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85073-83-2 | RS-2232
CAS No: 85073-83-2 Catalog No: AG004RQT MDL No:
Product Description
Catalog Number:
AG004RQT
Chemical Name:
RS-2232
CAS Number:
85073-83-2
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile
InChI:
InChI=1S/C14H12N4/c15-8-10-4-6-11(7-5-10)18-14-12-2-1-3-13(12)16-9-17-14/h4-7,9H,1-3H2,(H,16,17,18)
InChI Key:
ODPUPNQUEWDGSZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1ncnc2c1CCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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