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Home > Bromides > 1272320-81-6
1272320-81-6 | 1H-Pyrrolo[2',1':3,4][1,4]diazepino[1,7-a]benzimidazole, 9-bromo-2,3,5,6,13,13a-hexahydro-
CAS No: 1272320-81-6 Catalog No: AG000WS2 MDL No:
Product Description
Catalog Number:
AG000WS2
Chemical Name:
1H-Pyrrolo[2',1':3,4][1,4]diazepino[1,7-a]benzimidazole, 9-bromo-2,3,5,6,13,13a-hexahydro-
CAS Number:
1272320-81-6
Molecular Formula:
C14H16BrN3
Molecular Weight:
306.2009
IUPAC Name:
14-bromo-1,7,11-triazatetracyclo[8.7.0.03,7.012,17]heptadeca-10,12(17),13,15-tetraene
InChI:
InChI=1S/C14H16BrN3/c15-10-3-4-13-12(8-10)16-14-5-7-17-6-1-2-11(17)9-18(13)14/h3-4,8,11H,1-2,5-7,9H2
InChI Key:
GMDAKTOTLYKIHT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc1n2CC2CCCN2CC1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.207g/mol
Monoisotopic Mass:
305.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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