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1289385-54-1 | 3-Azetidinecarboxylic acid, 1-(4-chloro-6-methyl-2-pyrimidinyl)-
CAS No: 1289385-54-1 Catalog No: AG000YKB MDL No:MFCD18837470
Product Description
Catalog Number:
AG000YKB
Chemical Name:
3-Azetidinecarboxylic acid, 1-(4-chloro-6-methyl-2-pyrimidinyl)-
CAS Number:
1289385-54-1
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
MDL Number:
MFCD18837470
IUPAC Name:
1-(4-chloro-6-methylpyrimidin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C9H10ClN3O2/c1-5-2-7(10)12-9(11-5)13-3-6(4-13)8(14)15/h2,6H,3-4H2,1H3,(H,14,15)
InChI Key:
WBVPBUYLOGJZGL-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)nc(n1)N1CC(C1)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.648g/mol
Monoisotopic Mass:
227.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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