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10040-96-7 | 1H-Imidazole, 1-(4-bromophenyl)-
CAS No: 10040-96-7 Catalog No: AG0001XO MDL No:MFCD00060489
Product Description
Catalog Number:
AG0001XO
Chemical Name:
1H-Imidazole, 1-(4-bromophenyl)-
CAS Number:
10040-96-7
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD00060489
IUPAC Name:
1-(4-bromophenyl)imidazole
InChI:
InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChI Key:
SERULNRLZWOYPK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1cncc1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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