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Home Carboxys methyl 1-(azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

methyl 1-(azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

CAS No.:
1461715-73-0
Catalog Number:
AG01A72U
Molecular Formula:
C7H11ClN4O2
Molecular Weight:
218.6408
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Product Description
Catalog Number:
AG01A72U
Chemical Name:
methyl 1-(azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride
CAS Number:
1461715-73-0
Molecular Formula:
C7H11ClN4O2
Molecular Weight:
218.6408
MDL Number:
MFCD25970516
IUPAC Name:
methyl 1-(azetidin-3-yl)triazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C7H10N4O2.ClH/c1-13-7(12)6-4-11(10-9-6)5-2-8-3-5;/h4-5,8H,2-3H2,1H3;1H
InChI Key:
UFXUHRFNUMHUPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1)C1CNC1.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.057g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.641g/mol
Monoisotopic Mass:
218.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties