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1314354-92-1 | 3-Pyrrolidinol, 1-(6-chloro-4-pyrimidinyl)-, (3S)-
CAS No: 1314354-92-1 Catalog No: AG000W6L MDL No:MFCD18380489
Product Description
Catalog Number:
AG000W6L
Chemical Name:
3-Pyrrolidinol, 1-(6-chloro-4-pyrimidinyl)-, (3S)-
CAS Number:
1314354-92-1
Molecular Formula:
C8H10ClN3O
Molecular Weight:
199.6375
MDL Number:
MFCD18380489
IUPAC Name:
(3S)-1-(6-chloropyrimidin-4-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C8H10ClN3O/c9-7-3-8(11-5-10-7)12-2-1-6(13)4-12/h3,5-6,13H,1-2,4H2/t6-/m0/s1
InChI Key:
LKGMLJYQCXYCRF-LURJTMIESA-N
SMILES:
O[C@H]1CCN(C1)c1ncnc(c1)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.638g/mol
Monoisotopic Mass:
199.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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