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144104-65-4 | 2(1H)-Cycloheptimidazolone, 1-(4-bromophenyl)-
CAS No: 144104-65-4 Catalog No: AG001IYR MDL No:
Product Description
Catalog Number:
AG001IYR
Chemical Name:
2(1H)-Cycloheptimidazolone, 1-(4-bromophenyl)-
CAS Number:
144104-65-4
Molecular Formula:
C14H9BrN2O
Molecular Weight:
301.1381
IUPAC Name:
1-(4-bromophenyl)cyclohepta[d]imidazol-2-one
InChI:
InChI=1S/C14H9BrN2O/c15-10-6-8-11(9-7-10)17-13-5-3-1-2-4-12(13)16-14(17)18/h1-9H
InChI Key:
BKMADICUTOKACD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1c(=O)nc2c1ccccc2
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.143g/mol
Monoisotopic Mass:
299.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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