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87185-90-8 | Ethanimidamide, N-[(4-methylphenyl)sulfonyl]-
CAS No: 87185-90-8 Catalog No: AG004SL7 MDL No:
Product Description
Catalog Number:
AG004SL7
Chemical Name:
Ethanimidamide, N-[(4-methylphenyl)sulfonyl]-
CAS Number:
87185-90-8
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
IUPAC Name:
N'-(4-methylphenyl)sulfonylethanimidamide
InChI:
InChI=1S/C9H12N2O2S/c1-7-3-5-9(6-4-7)14(12,13)11-8(2)10/h3-6H,1-2H3,(H2,10,11)
InChI Key:
AATHMSXPRMZWAD-UHFFFAOYSA-N
SMILES:
CC(=N)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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