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131020-54-7 | 1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-, sulfate (1:1) (9CI)
CAS No: 131020-54-7 Catalog No: AG000VCB MDL No:
Product Description
Catalog Number:
AG000VCB
Chemical Name:
1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-, sulfate (1:1) (9CI)
CAS Number:
131020-54-7
IUPAC Name:
sulfuric acid;4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
InChI:
InChI=1S/C8H9ClN2O.H2O4S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6;1-5(2,3)4/h4-5H,1-3H2,(H,10,11);(H2,1,2,3,4)
InChI Key:
WOOASQMXQATIPT-UHFFFAOYSA-N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.695g/mol
Monoisotopic Mass:
282.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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