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Home > Imidazoles > 42076-29-9
42076-29-9 | 1H-Benzimidazole,2-methyl-1-(2-propynyl)-(9CI)
CAS No: 42076-29-9 Catalog No: AG00CWMB MDL No:MFCD04971471
Product Description
Catalog Number:
AG00CWMB
Chemical Name:
1H-Benzimidazole,2-methyl-1-(2-propynyl)-(9CI)
CAS Number:
42076-29-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD04971471
IUPAC Name:
2-methyl-1-prop-2-ynylbenzimidazole
InChI:
InChI=1S/C11H10N2/c1-3-8-13-9(2)12-10-6-4-5-7-11(10)13/h1,4-7H,8H2,2H3
InChI Key:
BVJTXVFAGWQFSW-UHFFFAOYSA-N
SMILES:
C#CCn1c(C)nc2c1cccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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