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Home > Imidazoles > 854855-87-1
854855-87-1 | 2-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-BUTYRIC ACID
CAS No: 854855-87-1 Catalog No: AG00GR3N MDL No:MFCD04277491
Product Description
Catalog Number:
AG00GR3N
Chemical Name:
2-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-BUTYRIC ACID
CAS Number:
854855-87-1
MDL Number:
MFCD04277491
IUPAC Name:
2-(1-methylbenzimidazol-2-yl)sulfanylbutanoic acid
InChI:
InChI=1S/C12H14N2O2S/c1-3-10(11(15)16)17-12-13-8-6-4-5-7-9(8)14(12)2/h4-7,10H,3H2,1-2H3,(H,15,16)
InChI Key:
VFZXCSXXRQFFRQ-UHFFFAOYSA-N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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