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Home > Imidazoles > 83101-93-3
83101-93-3 | Carbamic acid, (5-((4-hydroxyphenyl)sulfonyl)-1H-benzimidazol-2-yl)-, methyl ester
CAS No: 83101-93-3 Catalog No: AG005BBY MDL No:
Product Description
Catalog Number:
AG005BBY
Chemical Name:
Carbamic acid, (5-((4-hydroxyphenyl)sulfonyl)-1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
83101-93-3
Molecular Formula:
C15H13N3O5S
Molecular Weight:
347.3458
IUPAC Name:
methyl N-[6-(4-hydroxyphenyl)sulfonyl-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C15H13N3O5S/c1-23-15(20)18-14-16-12-7-6-11(8-13(12)17-14)24(21,22)10-4-2-9(19)3-5-10/h2-8,19H,1H3,(H2,16,17,18,20)
InChI Key:
UIEDORMIFUAZFJ-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)S(=O)(=O)c1ccc(cc1)O
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.345g/mol
Monoisotopic Mass:
347.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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