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Home > Imidazoles > 104075-48-1
104075-48-1 | 4-(2-Ethyl-2-indanyl)imidazole hydrochloride
CAS No: 104075-48-1 Catalog No: AG003AX2 MDL No:MFCD06407819
Product Description
Catalog Number:
AG003AX2
Chemical Name:
4-(2-Ethyl-2-indanyl)imidazole hydrochloride
CAS Number:
104075-48-1
Molecular Formula:
C14H17ClN2
Molecular Weight:
248.7512
MDL Number:
MFCD06407819
IUPAC Name:
5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride
InChI:
InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H
InChI Key:
PCCVCJAQMHDWJY-UHFFFAOYSA-N
SMILES:
CCC1(Cc2c(C1)cccc2)c1c[nH]cn1.Cl
UNII:
2W4279571X
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.754g/mol
Monoisotopic Mass:
248.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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