Name: Name:Cyclopropanecarbonitrile, 1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
Brand: Angene
SKU: AG002WTY
Rating: 90 (10 reviews)

Cyclopropanecarbonitrile, 1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-

CAS No.:

288569-60-8

Catalog Number:

AG002WTY

Molecular Formula:

C12H13NO3S

Molecular Weight:

251.3015

Catalog Number:

AG002WTY

Chemical Name:

Cyclopropanecarbonitrile, 1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-

CAS Number:

288569-60-8

Molecular Formula:

C12H13NO3S

Molecular Weight:

251.3015

MDL Number:

MFCD28128904

IUPAC Name:

(1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C12H13NO3S/c1-10-2-4-11(5-3-10)17(14,15)16-9-12(8-13)6-7-12/h2-5H,6-7,9H2,1H3

InChI Key:

ZIGSROJSFJRBBT-UHFFFAOYSA-N

SMILES:

N#CC1(CC1)COS(=O)(=O)c1ccc(cc1)C

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.3g/mol

Monoisotopic Mass:

251.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5