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1368703-57-4 | [1-(4-Chlorobenzyl)-1H-imidazol-4-yl]methanamine
CAS No: 1368703-57-4 Catalog No: AG01F9J9 MDL No:
Product Description
Catalog Number:
AG01F9J9
Chemical Name:
[1-(4-Chlorobenzyl)-1H-imidazol-4-yl]methanamine
CAS Number:
1368703-57-4
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
IUPAC Name:
[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methanamine
InChI:
InChI=1S/C11H12ClN3/c12-10-3-1-9(2-4-10)6-15-7-11(5-13)14-8-15/h1-4,7-8H,5-6,13H2
InChI Key:
NVPCBOCKXJIBHA-UHFFFAOYSA-N
SMILES:
NCc1ncn(c1)Cc1ccc(cc1)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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