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78021-44-0 | 4-[(iodomethyl)sulfonyl]aniline
CAS No: 78021-44-0 Catalog No: AG005DP9 MDL No:
Product Description
Catalog Number:
AG005DP9
Chemical Name:
4-[(iodomethyl)sulfonyl]aniline
CAS Number:
78021-44-0
Molecular Formula:
C7H8INO2S
Molecular Weight:
297.1134
IUPAC Name:
4-(iodomethylsulfonyl)aniline
InChI:
InChI=1S/C7H8INO2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h1-4H,5,9H2
InChI Key:
RFWMOBHTNFVEJS-UHFFFAOYSA-N
SMILES:
ICS(=O)(=O)c1ccc(cc1)N
NSC Number:
112818
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.932g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.11g/mol
Monoisotopic Mass:
296.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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