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89149-89-3 | 1H-Imidazole, 1-(bromomethyl)-
CAS No: 89149-89-3 Catalog No: AG003XHM MDL No:
Product Description
Catalog Number:
AG003XHM
Chemical Name:
1H-Imidazole, 1-(bromomethyl)-
CAS Number:
89149-89-3
Molecular Formula:
C4H5BrN2
Molecular Weight:
160.9999
IUPAC Name:
1-(bromomethyl)imidazole
InChI:
InChI=1S/C4H5BrN2/c5-3-7-2-1-6-4-7/h1-2,4H,3H2
InChI Key:
QMEYRNMNVAARRN-UHFFFAOYSA-N
SMILES:
BrCn1cncc1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.964g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.002g/mol
Monoisotopic Mass:
159.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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