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1379439-07-2 | 3-Pyrrolidinol, 1-(2-chloro-4-pyrimidinyl)-, (3S)-
CAS No: 1379439-07-2 Catalog No: AG0017OR MDL No:MFCD18380430
Product Description
Catalog Number:
AG0017OR
Chemical Name:
3-Pyrrolidinol, 1-(2-chloro-4-pyrimidinyl)-, (3S)-
CAS Number:
1379439-07-2
Molecular Formula:
C8H10ClN3O
Molecular Weight:
199.6375
MDL Number:
MFCD18380430
IUPAC Name:
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C8H10ClN3O/c9-8-10-3-1-7(11-8)12-4-2-6(13)5-12/h1,3,6,13H,2,4-5H2/t6-/m0/s1
InChI Key:
DLZHVZSXNBBQKW-LURJTMIESA-N
SMILES:
O[C@H]1CCN(C1)c1ccnc(n1)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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