200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 14562-04-0
14562-04-0 | Acetonitrile, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 14562-04-0 Catalog No: AG001D8J MDL No:MFCD00019827
Product Description
Catalog Number:
AG001D8J
Chemical Name:
Acetonitrile, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
14562-04-0
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
MDL Number:
MFCD00019827
IUPAC Name:
cyanomethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3
InChI Key:
PFXOLUYGXYEFOR-UHFFFAOYSA-N
SMILES:
N#CCOS(=O)(=O)c1ccc(cc1)C
EC Number:
238-604-3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.