Home Halogens 4-bromo-2-methoxy-5-sulfamoylbenzoic acid

4-bromo-2-methoxy-5-sulfamoylbenzoic acid

CAS No.:
72135-37-6
Catalog Number:
AG01A15X
Molecular Formula:
C8H8BrNO5S
Molecular Weight:
310.1218
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Product Description
Catalog Number:
AG01A15X
Chemical Name:
4-bromo-2-methoxy-5-sulfamoylbenzoic acid
CAS Number:
72135-37-6
Molecular Formula:
C8H8BrNO5S
Molecular Weight:
310.1218
MDL Number:
MFCD22578445
IUPAC Name:
4-bromo-2-methoxy-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H8BrNO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
HPMUHUHXQQFRTF-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1C(=O)O)S(=O)(=O)N
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.931g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.118g/mol
Monoisotopic Mass:
308.931g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties