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1289387-76-3 | 3-Azetidinecarboxylic acid, 1-(4-chloro-5-methyl-2-pyrimidinyl)-
CAS No: 1289387-76-3 Catalog No: AG000YNG MDL No:MFCD18837438
Product Description
Catalog Number:
AG000YNG
Chemical Name:
3-Azetidinecarboxylic acid, 1-(4-chloro-5-methyl-2-pyrimidinyl)-
CAS Number:
1289387-76-3
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
MDL Number:
MFCD18837438
IUPAC Name:
1-(4-chloro-5-methylpyrimidin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C9H10ClN3O2/c1-5-2-11-9(12-7(5)10)13-3-6(4-13)8(14)15/h2,6H,3-4H2,1H3,(H,14,15)
InChI Key:
WWSBGRUPWRRDQZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ncc(c(n1)Cl)C
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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