Home Sulfos 3-Bromo-5-(methylsulfonyl)aniline

3-Bromo-5-(methylsulfonyl)aniline

CAS No.:
62606-00-2
Catalog Number:
AG00EIF1
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
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Product Description
Catalog Number:
AG00EIF1
Chemical Name:
3-Bromo-5-(methylsulfonyl)aniline
CAS Number:
62606-00-2
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD17392822
IUPAC Name:
3-bromo-5-methylsulfonylaniline
InChI:
InChI=1S/C7H8BrNO2S/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChI Key:
JVVOWNCCNDEBSM-UHFFFAOYSA-N
SMILES:
Nc1cc(Br)cc(c1)S(=O)(=O)C
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:
1.2  
Properties