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1289384-70-8 | 3-Azetidinecarboxylic acid, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS No: 1289384-70-8 Catalog No: AG000YJM MDL No:MFCD18837441
Product Description
Catalog Number:
AG000YJM
Chemical Name:
3-Azetidinecarboxylic acid, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS Number:
1289384-70-8
Molecular Formula:
C9H10ClN3O2S
Molecular Weight:
259.7126
MDL Number:
MFCD18837441
IUPAC Name:
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C9H10ClN3O2S/c1-16-9-11-6(10)2-7(12-9)13-3-5(4-13)8(14)15/h2,5H,3-4H2,1H3,(H,14,15)
InChI Key:
JEMXWXHBKMKHBF-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)N1CC(C1)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.708g/mol
Monoisotopic Mass:
259.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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