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88723-42-6 | Ethanone, 2-bromo-1-[2-(propylamino)-1H-imidazol-4-yl]-
CAS No: 88723-42-6 Catalog No: AG00453T MDL No:
Product Description
Catalog Number:
AG00453T
Chemical Name:
Ethanone, 2-bromo-1-[2-(propylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-42-6
Molecular Formula:
C8H12BrN3O
Molecular Weight:
246.1044
IUPAC Name:
2-bromo-1-[2-(propylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C8H12BrN3O/c1-2-3-10-8-11-5-6(12-8)7(13)4-9/h5H,2-4H2,1H3,(H2,10,11,12)
InChI Key:
WVMSQAULXBZDQJ-UHFFFAOYSA-N
SMILES:
CCCNc1[nH]cc(n1)C(=O)CBr
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.108g/mol
Monoisotopic Mass:
245.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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