Home Halogens tert-Butyl 3-bromo-8,9-dihydro-5h-imidazo[1,2-d][1,4]diazepine-7(6h)-carboxylate

tert-Butyl 3-bromo-8,9-dihydro-5h-imidazo[1,2-d][1,4]diazepine-7(6h)-carboxylate

CAS No.:
1330765-01-9
Catalog Number:
AG00HSRW
Molecular Formula:
C12H18BrN3O2
Molecular Weight:
316.1942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
Product Description
Catalog Number:
AG00HSRW
Chemical Name:
tert-Butyl 3-bromo-8,9-dihydro-5h-imidazo[1,2-d][1,4]diazepine-7(6h)-carboxylate
CAS Number:
1330765-01-9
Molecular Formula:
C12H18BrN3O2
Molecular Weight:
316.1942
MDL Number:
MFCD20231185
IUPAC Name:
tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate
InChI:
InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-10-14-8-9(13)16(10)7-6-15/h8H,4-7H2,1-3H3
InChI Key:
VPOJINOXLDKIJR-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(CC1)ncc2Br)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