Name: Name:Acetonitrile, 2-[[(4-chlorophenyl)methyl]sulfonyl]-
Brand: Angene
SKU: AG0020BE
Rating: 90 (10 reviews)

Acetonitrile, 2-[[(4-chlorophenyl)methyl]sulfonyl]-

CAS No.:

175137-57-2

Catalog Number:

AG0020BE

Molecular Formula:

C9H8ClNO2S

Molecular Weight:

229.6833

Catalog Number:

AG0020BE

Chemical Name:

Acetonitrile, 2-[[(4-chlorophenyl)methyl]sulfonyl]-

CAS Number:

175137-57-2

Molecular Formula:

C9H8ClNO2S

Molecular Weight:

229.6833

MDL Number:

MFCD00067871

IUPAC Name:

2-[(4-chlorophenyl)methylsulfonyl]acetonitrile

InChI:

InChI=1S/C9H8ClNO2S/c10-9-3-1-8(2-4-9)7-14(12,13)6-5-11/h1-4H,6-7H2

InChI Key:

FEOYOHMXFJDACL-UHFFFAOYSA-N

SMILES:

N#CCS(=O)(=O)Cc1ccc(cc1)Cl

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.678g/mol

Monoisotopic Mass:

228.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5