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1003707-48-9 | 1H-Benzimidazole, 7-(1-methylethyl)-
CAS No: 1003707-48-9 Catalog No: AG0001RA MDL No:
Product Description
Catalog Number:
AG0001RA
Chemical Name:
1H-Benzimidazole, 7-(1-methylethyl)-
CAS Number:
1003707-48-9
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
IUPAC Name:
4-propan-2-yl-1H-benzimidazole
InChI:
InChI=1S/C10H12N2/c1-7(2)8-4-3-5-9-10(8)12-6-11-9/h3-7H,1-2H3,(H,11,12)
InChI Key:
DZVXXHSUENHLJH-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1[nH]cn2)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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