Home Halogens 3-bromo-4-(dimethylsulfamoyl)benzoic acid

3-bromo-4-(dimethylsulfamoyl)benzoic acid

CAS No.:
1019384-91-8
Catalog Number:
AG01AAUK
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
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Product Description
Catalog Number:
AG01AAUK
Chemical Name:
3-bromo-4-(dimethylsulfamoyl)benzoic acid
CAS Number:
1019384-91-8
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
MDL Number:
MFCD11131893
IUPAC Name:
3-bromo-4-(dimethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)8-4-3-6(9(12)13)5-7(8)10/h3-5H,1-2H3,(H,12,13)
InChI Key:
PVZZRMYVFSLWKH-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1S(=O)(=O)N(C)C)C(=O)O
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.951g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.146g/mol
Monoisotopic Mass:
306.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties