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42076-28-8 | 1H-Benzimidazole,1-(2-propynyl)-(9CI)
CAS No: 42076-28-8 Catalog No: AG00CWM2 MDL No:MFCD05681589
Product Description
Catalog Number:
AG00CWM2
Chemical Name:
1H-Benzimidazole,1-(2-propynyl)-(9CI)
CAS Number:
42076-28-8
MDL Number:
MFCD05681589
IUPAC Name:
1-prop-2-ynylbenzimidazole
InChI:
InChI=1S/C10H8N2/c1-2-7-12-8-11-9-5-3-4-6-10(9)12/h1,3-6,8H,7H2
InChI Key:
MITDXNUXOAYFGC-UHFFFAOYSA-N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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