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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

Inventory

CAS number:
207557-35-5
Synonyms
Names:
1-Chloroacetyl-2-(S)-cyanopyrrolidine
Identifier:
EC number
807-388-8
Identifier:
IUPAC name
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
Identifier:
other: InChl
InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2
Identifier:
other: SMILES notation
O=C(N1[C@H](C#N)CCC1)CCl
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

Molecular and structural information

Molecular formula:
C7H9ClN2O
Molecular weight:
> 172 - < 173
SMILES notation:
C1CC(N(C1)C(=O)CCl)C#N
InChl:
InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1
Structural formula:
Chemical structure

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