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145575-91-3 | 1H-Imidazole, 5-bromo-2-ethyl-
CAS No: 145575-91-3 Catalog No: AG001D6U MDL No:MFCD09033085
Product Description
Catalog Number:
AG001D6U
Chemical Name:
1H-Imidazole, 5-bromo-2-ethyl-
CAS Number:
145575-91-3
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD09033085
IUPAC Name:
5-bromo-2-ethyl-1H-imidazole
InChI:
InChI=1S/C5H7BrN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8)
InChI Key:
ABGRZMXSFGWOOF-UHFFFAOYSA-N
SMILES:
CCc1ncc([nH]1)Br
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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