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1421920-61-7,MFCD27988017
Catalog No.:AA001HUM
1421920-61-7 | 3-Azetidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$190.00
- +
1g
97%
1 week  
$472.00
- +
5g
97%
1 week  
$1,334.00
- +
10g
97%
1 week  
$2,196.00
- +
  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001HUM
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
Computed 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

Synonyms
 
Methyl 3-fluoroazetidine-3-carboxylate hydrochloride 
1421920-61-7 
AS-34571 
CS-0049098 
methyl 3-fluoroazetidine-3-carboxylate;hydrochloride 
3-Azetidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1) 
C5H9ClFNO2 
Methyl 3-fluoroazetidine-3-carboxylate HCl 
MFCD27988017 
SCHEMBL14677073 
LXRPGQJMUPHTPM-UHFFFAOYSA-N 
AKOS025290210 
SB20372 
KS-0000078O 
AK172366 
Literature
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