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Home > Imidazoles > 83116-32-9
83116-32-9 | (5-((4-HYDROXYPHENYL)SULFINYL)-1H-BENZO[D]IMIDAZOL-2-YL)CARBAMIC ACID METHYL ESTER
CAS No: 83116-32-9 Catalog No: AG008JXD MDL No:
Product Description
Catalog Number:
AG008JXD
Chemical Name:
(5-((4-HYDROXYPHENYL)SULFINYL)-1H-BENZO[D]IMIDAZOL-2-YL)CARBAMIC ACID METHYL ESTER
CAS Number:
83116-32-9
Molecular Formula:
C15H13N3O4S
Molecular Weight:
331.3464
IUPAC Name:
methyl N-[6-(4-hydroxyphenyl)sulfinyl-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C15H13N3O4S/c1-22-15(20)18-14-16-12-7-6-11(8-13(12)17-14)23(21)10-4-2-9(19)3-5-10/h2-8,19H,1H3,(H2,16,17,18,20)
InChI Key:
QEYHVNPMQVDJPV-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)S(=O)c1ccc(cc1)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.346g/mol
Monoisotopic Mass:
331.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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