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114684-96-7 | 5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-4-(4-morpholinyl)-
CAS No: 114684-96-7 Catalog No: AG000F0K MDL No:
Product Description
Catalog Number:
AG000F0K
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-4-(4-morpholinyl)-
CAS Number:
114684-96-7
Molecular Formula:
C10H11ClN4O
Molecular Weight:
238.6735
IUPAC Name:
4-(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine
InChI:
InChI=1S/C10H11ClN4O/c11-10-13-7-1-2-12-8(7)9(14-10)15-3-5-16-6-4-15/h1-2,12H,3-6H2
InChI Key:
HSNPJLJHRZVTNR-UHFFFAOYSA-N
SMILES:
Clc1nc(N2CCOCC2)c2c(n1)cc[nH]2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.675g/mol
Monoisotopic Mass:
238.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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