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Home > Nitro Compounds > 1261981-98-9
1261981-98-9 | 2-(3-t-Butylsulfamoylphenyl)-4-nitrobenzoic acid
CAS No: 1261981-98-9 Catalog No: AG00HPLP MDL No:
Product Description
Catalog Number:
AG00HPLP
Chemical Name:
2-(3-t-Butylsulfamoylphenyl)-4-nitrobenzoic acid
CAS Number:
1261981-98-9
IUPAC Name:
2-[3-(tert-butylsulfamoyl)phenyl]-4-nitrobenzoic acid
InChI:
InChI=1S/C17H18N2O6S/c1-17(2,3)18-26(24,25)13-6-4-5-11(9-13)15-10-12(19(22)23)7-8-14(15)16(20)21/h4-10,18H,1-3H3,(H,20,21)
InChI Key:
MMSGNVHUSUOEPR-UHFFFAOYSA-N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.399g/mol
Monoisotopic Mass:
378.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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