Home Halogens tert-butyl 3-bromo-8,9-dihydro-5H-imidazo[1,5-d][1,4]diazepine-7(6H)-carboxylate

tert-butyl 3-bromo-8,9-dihydro-5H-imidazo[1,5-d][1,4]diazepine-7(6H)-carboxylate

CAS No.:
1823822-54-3
Catalog Number:
AG01DJTS
Molecular Formula:
C12H18BrN3O2
Molecular Weight:
316.1942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$370
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Product Description
Catalog Number:
AG01DJTS
Chemical Name:
tert-butyl 3-bromo-8,9-dihydro-5H-imidazo[1,5-d][1,4]diazepine-7(6H)-carboxylate
CAS Number:
1823822-54-3
Molecular Formula:
C12H18BrN3O2
Molecular Weight:
316.1942
MDL Number:
MFCD27997373
IUPAC Name:
tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-7-carboxylate
InChI:
InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-9-8-14-10(13)16(9)7-6-15/h8H,4-7H2,1-3H3
InChI Key:
XHBLPGQQPIZSLQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(CC1)cnc2Br)OC(C)(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.058g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.199g/mol
Monoisotopic Mass:
315.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties