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1261234-17-6 | 3-Pyrrolidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-, (3R)-
CAS No: 1261234-17-6 Catalog No: AG000ROD MDL No:MFCD18380159
Product Description
Catalog Number:
AG000ROD
Chemical Name:
3-Pyrrolidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-, (3R)-
CAS Number:
1261234-17-6
Molecular Formula:
C9H12ClN3OS
Molecular Weight:
245.7291
MDL Number:
MFCD18380159
IUPAC Name:
(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C9H12ClN3OS/c1-15-9-11-7(10)4-8(12-9)13-3-2-6(14)5-13/h4,6,14H,2-3,5H2,1H3/t6-/m1/s1
InChI Key:
QDIGBHPATKBOME-ZCFIWIBFSA-N
SMILES:
CSc1nc(cc(n1)Cl)N1CC[C@H](C1)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.725g/mol
Monoisotopic Mass:
245.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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