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175135-14-5 | 1H-Benzimidazole, 7-bromo-5-(trifluoromethyl)-
CAS No: 175135-14-5 Catalog No: AG002060 MDL No:MFCD11054317
Product Description
Catalog Number:
AG002060
Chemical Name:
1H-Benzimidazole, 7-bromo-5-(trifluoromethyl)-
CAS Number:
175135-14-5
Molecular Formula:
C8H4BrF3N2
Molecular Weight:
265.0300
MDL Number:
MFCD11054317
IUPAC Name:
4-bromo-6-(trifluoromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
InChI Key:
HYTQERQCUFICAX-UHFFFAOYSA-N
SMILES:
Brc1cc(cc2c1[nH]cn2)C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.033g/mol
Monoisotopic Mass:
263.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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