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1289386-16-8 | 3-Azetidinecarboxylic acid, 1-(5-chloro-2-pyrimidinyl)-
CAS No: 1289386-16-8 Catalog No: AG000YL1 MDL No:MFCD18837467
Product Description
Catalog Number:
AG000YL1
Chemical Name:
3-Azetidinecarboxylic acid, 1-(5-chloro-2-pyrimidinyl)-
CAS Number:
1289386-16-8
Molecular Formula:
C8H8ClN3O2
Molecular Weight:
213.6210
MDL Number:
MFCD18837467
IUPAC Name:
1-(5-chloropyrimidin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C8H8ClN3O2/c9-6-1-10-8(11-2-6)12-3-5(4-12)7(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
FRVAYACKJCZXSR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ncc(cn1)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.621g/mol
Monoisotopic Mass:
213.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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