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102993-65-7 | 1-(3-Methylbenzyl)imidazole
CAS No: 102993-65-7 Catalog No: AG01EQMG MDL No:
Product Description
Catalog Number:
AG01EQMG
Chemical Name:
1-(3-Methylbenzyl)imidazole
CAS Number:
102993-65-7
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-[(3-methylphenyl)methyl]imidazole
InChI:
InChI=1S/C11H12N2/c1-10-3-2-4-11(7-10)8-13-6-5-12-9-13/h2-7,9H,8H2,1H3
InChI Key:
QAHKQESOBNRNSZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cn1cncc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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