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1421920-61-7 | 3-Azetidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
CAS No: 1421920-61-7 Catalog No: AG001HXE MDL No:MFCD27988017
Product Description
Catalog Number:
AG001HXE
Chemical Name:
3-Azetidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
1421920-61-7
Molecular Formula:
C5H9ClFNO2
Molecular Weight:
169.5819
MDL Number:
MFCD27988017
IUPAC Name:
methyl 3-fluoroazetidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C5H8FNO2.ClH/c1-9-4(8)5(6)2-7-3-5;/h7H,2-3H2,1H3;1H
InChI Key:
LXRPGQJMUPHTPM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(F)CNC1.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.58g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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