Home Halogens Tert-Butyl 1,3-Dibromo-8,9-Dihydro-5H-Imidazo[1,5-D][1,4]Diazepine-7(6H)-Carboxylate

Tert-Butyl 1,3-Dibromo-8,9-Dihydro-5H-Imidazo[1,5-D][1,4]Diazepine-7(6H)-Carboxylate

CAS No.:
1445951-62-1
Catalog Number:
AG00HX59
Molecular Formula:
C12H17Br2N3O2
Molecular Weight:
395.0903
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Product Description
Catalog Number:
AG00HX59
Chemical Name:
Tert-Butyl 1,3-Dibromo-8,9-Dihydro-5H-Imidazo[1,5-D][1,4]Diazepine-7(6H)-Carboxylate
CAS Number:
1445951-62-1
Molecular Formula:
C12H17Br2N3O2
Molecular Weight:
395.0903
MDL Number:
MFCD25509400
IUPAC Name:
tert-butyl 1,3-dibromo-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-7-carboxylate
InChI:
InChI=1S/C12H17Br2N3O2/c1-12(2,3)19-11(18)16-5-4-8-9(13)15-10(14)17(8)7-6-16/h4-7H2,1-3H3
InChI Key:
HUTPZSGWMGPOHM-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(CC1)c(nc2Br)Br)OC(C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.967g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.095g/mol
Monoisotopic Mass:
392.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties