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1537082-33-9 | 4-CHLORO-6-(3-HYDROXYPYRROLIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1537082-33-9 Catalog No: AG01C8HT MDL No:MFCD21755174
Product Description
Catalog Number:
AG01C8HT
Chemical Name:
4-CHLORO-6-(3-HYDROXYPYRROLIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1537082-33-9
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
MDL Number:
MFCD21755174
IUPAC Name:
4-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10ClN3O2/c10-8-7(4-14)9(12-5-11-8)13-2-1-6(15)3-13/h4-6,15H,1-3H2
InChI Key:
BXJRCTNSBAMQIX-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)ncnc1N1CCC(C1)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.648g/mol
Monoisotopic Mass:
227.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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