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Home > Bromides > 1314985-53-9
1314985-53-9 | 1H-Benzimidazole, 5-bromo-1-(1,1-dimethylethyl)-6-propoxy-
CAS No: 1314985-53-9 Catalog No: AG000WC6 MDL No:MFCD19684113
Product Description
Catalog Number:
AG000WC6
Chemical Name:
1H-Benzimidazole, 5-bromo-1-(1,1-dimethylethyl)-6-propoxy-
CAS Number:
1314985-53-9
Molecular Formula:
C14H19BrN2O
Molecular Weight:
311.2175
MDL Number:
MFCD19684113
IUPAC Name:
5-bromo-1-tert-butyl-6-propoxybenzimidazole
InChI:
InChI=1S/C14H19BrN2O/c1-5-6-18-13-8-12-11(7-10(13)15)16-9-17(12)14(2,3)4/h7-9H,5-6H2,1-4H3
InChI Key:
IAJJHJVNODDTOT-UHFFFAOYSA-N
SMILES:
CCCOc1cc2c(cc1Br)ncn2C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.223g/mol
Monoisotopic Mass:
310.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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