200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1314988-54-9
1314988-54-9 | 1H-Benzimidazole, 5-bromo-1-(1,1-dimethylethyl)-6-ethoxy-
CAS No: 1314988-54-9 Catalog No: AG000WCI MDL No:MFCD19684114
Product Description
Catalog Number:
AG000WCI
Chemical Name:
1H-Benzimidazole, 5-bromo-1-(1,1-dimethylethyl)-6-ethoxy-
CAS Number:
1314988-54-9
Molecular Formula:
C13H17BrN2O
Molecular Weight:
297.1909
MDL Number:
MFCD19684114
IUPAC Name:
5-bromo-1-tert-butyl-6-ethoxybenzimidazole
InChI:
InChI=1S/C13H17BrN2O/c1-5-17-12-7-11-10(6-9(12)14)15-8-16(11)13(2,3)4/h6-8H,5H2,1-4H3
InChI Key:
UTWAHJMUSZXDKQ-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(cc1Br)ncn2C(C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.196g/mol
Monoisotopic Mass:
296.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.