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Home > Bromides > 1825545-13-8
1825545-13-8 | 2-bromo-4-(dimethylsulfamoyl)benzoic acid
CAS No: 1825545-13-8 Catalog No: AG01EL8J MDL No:
Product Description
Catalog Number:
AG01EL8J
Chemical Name:
2-bromo-4-(dimethylsulfamoyl)benzoic acid
CAS Number:
1825545-13-8
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
IUPAC Name:
2-bromo-4-(dimethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)6-3-4-7(9(12)13)8(10)5-6/h3-5H,1-2H3,(H,12,13)
InChI Key:
QXHSQLWDGLWDCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Br)S(=O)(=O)N(C)C
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
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