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1239883-36-3 | 6H-Pyrido[3',2':4,5]imidazo[1,2-d][1,4]diazepine, 3-bromo-7,8,9,10-tetrahydro-
CAS No: 1239883-36-3 Catalog No: AG000LBR MDL No:
Product Description
Catalog Number:
AG000LBR
Chemical Name:
6H-Pyrido[3',2':4,5]imidazo[1,2-d][1,4]diazepine, 3-bromo-7,8,9,10-tetrahydro-
CAS Number:
1239883-36-3
Molecular Formula:
C10H11BrN4
Molecular Weight:
267.1251
IUPAC Name:
5-bromo-1,3,8,12-tetrazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene
InChI:
InChI=1S/C10H11BrN4/c11-7-5-8-10(13-6-7)15-4-3-12-2-1-9(15)14-8/h5-6,12H,1-4H2
InChI Key:
XBFPAEDUMUJMNN-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)nc1n2CCNCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.13g/mol
Monoisotopic Mass:
266.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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