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7018-76-0 | 4-(ISOCYANATOSULFONYL)-ANISOLE
CAS No: 7018-76-0 Catalog No: AG005KQ1 MDL No:MFCD00038781
Product Description
Catalog Number:
AG005KQ1
Chemical Name:
4-(ISOCYANATOSULFONYL)-ANISOLE
CAS Number:
7018-76-0
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
MDL Number:
MFCD00038781
IUPAC Name:
4-methoxy-N-(oxomethylidene)benzenesulfonamide
InChI:
InChI=1S/C8H7NO4S/c1-13-7-2-4-8(5-3-7)14(11,12)9-6-10/h2-5H,1H3
InChI Key:
RGVBEISMHCYSNF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N=C=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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