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1381944-60-0 | 1H-Benzimidazole, 5-bromo-6,7-difluoro-1-methyl-
CAS No: 1381944-60-0 Catalog No: AG00186L MDL No:MFCD22375040
Product Description
Catalog Number:
AG00186L
Chemical Name:
1H-Benzimidazole, 5-bromo-6,7-difluoro-1-methyl-
CAS Number:
1381944-60-0
Molecular Formula:
C8H5BrF2N2
Molecular Weight:
247.0395
MDL Number:
MFCD22375040
IUPAC Name:
5-bromo-6,7-difluoro-1-methylbenzimidazole
InChI:
InChI=1S/C8H5BrF2N2/c1-13-3-12-5-2-4(9)6(10)7(11)8(5)13/h2-3H,1H3
InChI Key:
ZGZACHGAOZFXKQ-UHFFFAOYSA-N
SMILES:
Brc1cc2ncn(c2c(c1F)F)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.043g/mol
Monoisotopic Mass:
245.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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