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1239879-72-1 | 1H-[1,4]Diazepino[1,7-a]benziMidazole, 9-broMo-2,3,4,5-tetrahydro-
CAS No: 1239879-72-1 Catalog No: AG000LBT MDL No:
Product Description
Catalog Number:
AG000LBT
Chemical Name:
1H-[1,4]Diazepino[1,7-a]benziMidazole, 9-broMo-2,3,4,5-tetrahydro-
CAS Number:
1239879-72-1
Molecular Formula:
C11H12BrN3
Molecular Weight:
266.1371
IUPAC Name:
9-bromo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
InChI:
InChI=1S/C11H12BrN3/c12-8-1-2-9-10(7-8)15-6-5-13-4-3-11(15)14-9/h1-2,7,13H,3-6H2
InChI Key:
UCDIQYIQNGIXDE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n1CCNCCc1n2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.142g/mol
Monoisotopic Mass:
265.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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