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1381944-40-6 | 1H-Benzimidazole, 5-bromo-1-ethyl-6,7-difluoro-
CAS No: 1381944-40-6 Catalog No: AG001874 MDL No:MFCD22375042
Product Description
Catalog Number:
AG001874
Chemical Name:
1H-Benzimidazole, 5-bromo-1-ethyl-6,7-difluoro-
CAS Number:
1381944-40-6
Molecular Formula:
C9H7BrF2N2
Molecular Weight:
261.0661
MDL Number:
MFCD22375042
IUPAC Name:
5-bromo-1-ethyl-6,7-difluorobenzimidazole
InChI:
InChI=1S/C9H7BrF2N2/c1-2-14-4-13-6-3-5(10)7(11)8(12)9(6)14/h3-4H,2H2,1H3
InChI Key:
IUXKNXOTLBNUQE-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1c(F)c(c(c2)Br)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.07g/mol
Monoisotopic Mass:
259.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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