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1609388-45-5,MFCD28024768
Catalog No.:AA00J2NA
1609388-45-5 | 3-methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole hydrochloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$374.00   $262.00
- +
5g
95%
in stock  
$1,262.00   $884.00
- +
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Technical Information
Catalog Number:
AA00J2NA
Chemical Name:
3-methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole hydrochloride
CAS Number:
1609388-45-5
Molecular Formula:
C7H12ClN3O
Molecular Weight:
189.6427
MDL Number:
MFCD28024768
IUPAC Name:
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-3-2-4-8-6;/h6,8H,2-4H2,1H3;1H/t6-;/m0./s1
InChI Key:
WJESNAGBIGVDJP-RGMNGODLSA-N
SMILES:
Cc1noc(n1)[C@@H]1CCCN1.Cl
Properties
Computed Properties
 
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
189.06689g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.64g/mol
Monoisotopic Mass:
189.06689g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1609388-45-5 
3-Methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole hydrochloride 
ZX-CM010359 
Literature
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