Home Halogens tert-butyl 5-bromobenzimidazole-1-carboxylate

tert-butyl 5-bromobenzimidazole-1-carboxylate

CAS No.:
942590-05-8
Catalog Number:
AG00II0E
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
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Product Description
Catalog Number:
AG00II0E
Chemical Name:
tert-butyl 5-bromobenzimidazole-1-carboxylate
CAS Number:
942590-05-8
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD13182500
IUPAC Name:
tert-butyl 5-bromobenzimidazole-1-carboxylate
InChI:
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-14-9-6-8(13)4-5-10(9)15/h4-7H,1-3H3
InChI Key:
PCGSIEGOWZACDD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ncn2C(=O)OC(C)(C)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties