Name: Name:(2S,5R)-1-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile
Brand: Angene
SKU: AG00G1LR
Rating: 90 (10 reviews)

(2S,5R)-1-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

CAS No.:

676559-69-6

Catalog Number:

AG00G1LR

Molecular Formula:

C9H9ClN2O

Molecular Weight:

196.6336

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$437

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Catalog Number:

AG00G1LR

Chemical Name:

(2S,5R)-1-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

CAS Number:

676559-69-6

Molecular Formula:

C9H9ClN2O

Molecular Weight:

196.6336

MDL Number:

MFCD13172851

IUPAC Name:

(2S,5R)-1-(2-chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

InChI:

InChI=1S/C9H9ClN2O/c1-2-7-3-4-8(6-11)12(7)9(13)5-10/h1,7-8H,3-5H2/t7-,8-/m0/s1

InChI Key:

OSBIHDNHTGLZIU-YUMQZZPRSA-N

SMILES:

C#C[C@H]1CC[C@H](N1C(=O)CCl)C#N

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.634g/mol

Monoisotopic Mass:

196.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8