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66558-19-8 | Thiocyanic acid, 5-methyl-1H-benzimidazol-2-yl ester (9CI)
CAS No: 66558-19-8 Catalog No: AG00FF3H MDL No:
Product Description
Catalog Number:
AG00FF3H
Chemical Name:
Thiocyanic acid, 5-methyl-1H-benzimidazol-2-yl ester (9CI)
CAS Number:
66558-19-8
IUPAC Name:
(6-methyl-1H-benzimidazol-2-yl) thiocyanate
InChI:
InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)12-9(11-7)13-5-10/h2-4H,1H3,(H,11,12)
InChI Key:
CQACPFGNCIDOMZ-UHFFFAOYSA-N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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