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28918-58-3 | Formamide, N-[(phenylsulfonyl)methyl]-
CAS No: 28918-58-3 Catalog No: AG002X22 MDL No:
Product Description
Catalog Number:
AG002X22
Chemical Name:
Formamide, N-[(phenylsulfonyl)methyl]-
CAS Number:
28918-58-3
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
IUPAC Name:
N-(benzenesulfonylmethyl)formamide
InChI:
InChI=1S/C8H9NO3S/c10-6-9-7-13(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,9,10)
InChI Key:
BMTTYUJPCJVXEU-UHFFFAOYSA-N
SMILES:
O=CNCS(=O)(=O)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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