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88723-55-1 | Ethanone, 2-bromo-1-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-
CAS No: 88723-55-1 Catalog No: AG0045NB MDL No:
Product Description
Catalog Number:
AG0045NB
Chemical Name:
Ethanone, 2-bromo-1-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-
CAS Number:
88723-55-1
Molecular Formula:
C12H12BrN3O
Molecular Weight:
294.1472
IUPAC Name:
1-[2-(benzylamino)-1H-imidazol-5-yl]-2-bromoethanone
InChI:
InChI=1S/C12H12BrN3O/c13-6-11(17)10-8-15-12(16-10)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
InChI Key:
GMUAPUQHCKWFLR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c[nH]c(n1)NCc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.152g/mol
Monoisotopic Mass:
293.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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