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52460-28-3 | 1H-Benzimidazole,1-methyl-2-(1-methylethyl)-(9CI)
CAS No: 52460-28-3 Catalog No: AG00DWF4 MDL No:MFCD02858985
Product Description
Catalog Number:
AG00DWF4
Chemical Name:
1H-Benzimidazole,1-methyl-2-(1-methylethyl)-(9CI)
CAS Number:
52460-28-3
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD02858985
IUPAC Name:
1-methyl-2-propan-2-ylbenzimidazole
InChI:
InChI=1S/C11H14N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h4-8H,1-3H3
InChI Key:
INVBVHACQOSOHS-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(n1C)cccc2)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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