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1227635-12-2

1227635-12-2 | 7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-7-(1-methylethyl)-

CAS No: 1227635-12-2 Catalog No: AG000JF2 MDL No:MFCD23106265

Product Description

Catalog Number:
AG000JF2
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-7-(1-methylethyl)-
CAS Number:
1227635-12-2
Molecular Formula:
C9H9Cl2N3
Molecular Weight:
230.0939
MDL Number:
MFCD23106265
IUPAC Name:
2,4-dichloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C9H9Cl2N3/c1-5(2)14-4-3-6-7(10)12-9(11)13-8(6)14/h3-5H,1-2H3
InChI Key:
CSWRJCCGUUJABM-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)n(cc2)C(C)C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.092g/mol
Monoisotopic Mass:
229.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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