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78667-04-6 | 2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
CAS No: 78667-04-6 Catalog No: AG005K0B MDL No:MFCD00234118
Product Description
Catalog Number:
AG005K0B
Chemical Name:
2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
CAS Number:
78667-04-6
Molecular Formula:
C5H8Cl2N2
Molecular Weight:
167.0364
MDL Number:
MFCD00234118
IUPAC Name:
2-(chloromethyl)-1-methylimidazole;hydrochloride
InChI:
InChI=1S/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
InChI Key:
JDIPKQBKSBWIKU-UHFFFAOYSA-N
SMILES:
ClCc1nccn1C.Cl
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.033g/mol
Monoisotopic Mass:
166.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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