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Home > Imidazoles > 99840-45-6
99840-45-6 | 4-METHYL-2-PROPYL-1H-BENZO[D]IMIDAZOLE
CAS No: 99840-45-6 Catalog No: AG003W44 MDL No:
Product Description
Catalog Number:
AG003W44
Chemical Name:
4-METHYL-2-PROPYL-1H-BENZO[D]IMIDAZOLE
CAS Number:
99840-45-6
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
4-methyl-2-propyl-1H-benzimidazole
InChI:
InChI=1S/C11H14N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h4,6-7H,3,5H2,1-2H3,(H,12,13)
InChI Key:
KKECAJNLCGRKJL-UHFFFAOYSA-N
SMILES:
CCCc1nc2c([nH]1)cccc2C
Properties
Complexity:
170
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:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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