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Home > Imidazoles > 5285-94-9
5285-94-9 | Thiocyanic acid, 1H-benzimidazol-2-yl ester (9CI)
CAS No: 5285-94-9 Catalog No: AG00E0PB MDL No:
Product Description
Catalog Number:
AG00E0PB
Chemical Name:
Thiocyanic acid, 1H-benzimidazol-2-yl ester (9CI)
CAS Number:
5285-94-9
IUPAC Name:
1H-benzimidazol-2-yl thiocyanate
InChI:
InChI=1S/C8H5N3S/c9-5-12-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)
InChI Key:
DWSVRXBNHIWGHF-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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