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1146290-23-4 | 4-[2-(methylsulfanyl)-1H-imidazol-1-yl]benzoic acid
CAS No: 1146290-23-4 Catalog No: AG019UZ0 MDL No:MFCD11858040
Product Description
Catalog Number:
AG019UZ0
Chemical Name:
4-[2-(methylsulfanyl)-1H-imidazol-1-yl]benzoic acid
CAS Number:
1146290-23-4
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
MDL Number:
MFCD11858040
IUPAC Name:
4-(2-methylsulfanylimidazol-1-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2S/c1-16-11-12-6-7-13(11)9-4-2-8(3-5-9)10(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
ZCICHLBTRTUUKQ-UHFFFAOYSA-N
SMILES:
CSc1nccn1c1ccc(cc1)C(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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