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1261234-21-2 | 3-Pyrrolidinol, 1-(2-chloro-6-methyl-4-pyrimidinyl)-, (3R)-
CAS No: 1261234-21-2 Catalog No: AG000ROC MDL No:
Product Description
Catalog Number:
AG000ROC
Chemical Name:
3-Pyrrolidinol, 1-(2-chloro-6-methyl-4-pyrimidinyl)-, (3R)-
CAS Number:
1261234-21-2
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
(3R)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C9H12ClN3O/c1-6-4-8(12-9(10)11-6)13-3-2-7(14)5-13/h4,7,14H,2-3,5H2,1H3/t7-/m1/s1
InChI Key:
ZUIKZRQFOFCRNI-SSDOTTSWSA-N
SMILES:
O[C@@H]1CCN(C1)c1cc(C)nc(n1)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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