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Home > Imidazoles > 76631-46-4
76631-46-4 | 4-(2,3-DIMETHYL-BENZYL)-1H-IMIDAZOLE
CAS No: 76631-46-4 Catalog No: AG00G2FJ MDL No:MFCD00864351
Product Description
Catalog Number:
AG00G2FJ
Chemical Name:
4-(2,3-DIMETHYL-BENZYL)-1H-IMIDAZOLE
CAS Number:
76631-46-4
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00864351
IUPAC Name:
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole
InChI:
InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChI Key:
RHDJRPPFURBGLQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)Cc1c[nH]cn1
UNII:
7N8K34P2XH
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
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