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1396554-49-6 | Benzenamine, 4-bromo-2-(methylsulfonyl)-
CAS No: 1396554-49-6 Catalog No: AG001BG1 MDL No:MFCD21193892
Product Description
Catalog Number:
AG001BG1
Chemical Name:
Benzenamine, 4-bromo-2-(methylsulfonyl)-
CAS Number:
1396554-49-6
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD21193892
IUPAC Name:
4-bromo-2-methylsulfonylaniline
InChI:
InChI=1S/C7H8BrNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChI Key:
XGTCPDZJAXURNZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S(=O)(=O)C)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.11g/mol
Monoisotopic Mass:
248.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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