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42517-55-5 | 1H-Benzimidazole,5-isothiocyanato-(9CI)
CAS No: 42517-55-5 Catalog No: AG00CWLB MDL No:
Product Description
Catalog Number:
AG00CWLB
Chemical Name:
1H-Benzimidazole,5-isothiocyanato-(9CI)
CAS Number:
42517-55-5
IUPAC Name:
6-isothiocyanato-1H-benzimidazole
InChI:
InChI=1S/C8H5N3S/c12-5-11-6-1-2-7-8(3-6)10-4-9-7/h1-4H,(H,9,10)
InChI Key:
RAPGMEHFXAWYSY-UHFFFAOYSA-N
Properties
Complexity:
212
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:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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