200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 240121-55-5
240121-55-5 | 2-(6-oxo-7,7,7-trifluoroheptyl)benzimidazole
CAS No: 240121-55-5 Catalog No: AG01EUL6 MDL No:MFCD04116492
Product Description
Catalog Number:
AG01EUL6
Chemical Name:
2-(6-oxo-7,7,7-trifluoroheptyl)benzimidazole
CAS Number:
240121-55-5
Molecular Formula:
C14H15F3N2O
Molecular Weight:
284.2769
MDL Number:
MFCD04116492
IUPAC Name:
7-(1H-benzimidazol-2-yl)-1,1,1-trifluoroheptan-2-one
InChI:
InChI=1S/C14H15F3N2O/c15-14(16,17)12(20)8-2-1-3-9-13-18-10-6-4-5-7-11(10)19-13/h4-7H,1-3,8-9H2,(H,18,19)
InChI Key:
JPFKHCKWTSXIST-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CCCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.282g/mol
Monoisotopic Mass:
284.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
© 2019 Angene International Limited. All rights Reserved.