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1289385-98-3 | 3-Azetidinecarboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-
CAS No: 1289385-98-3 Catalog No: AG000YL6 MDL No:MFCD18837492
Product Description
Catalog Number:
AG000YL6
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-
CAS Number:
1289385-98-3
Molecular Formula:
C10H11ClN2O2
Molecular Weight:
226.6595
MDL Number:
MFCD18837492
IUPAC Name:
1-[(6-chloropyridin-3-yl)methyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C10H11ClN2O2/c11-9-2-1-7(3-12-9)4-13-5-8(6-13)10(14)15/h1-3,8H,4-6H2,(H,14,15)
InChI Key:
QVULZMWLOGFMHE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)Cc1ccc(nc1)Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.66g/mol
Monoisotopic Mass:
226.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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