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1007578-83-7 | 3-Bromo-5-(trifluoromethyl)benzamide
CAS No: 1007578-83-7 Catalog No: AG01FDAF MDL No:
Product Description
Catalog Number:
AG01FDAF
Chemical Name:
3-Bromo-5-(trifluoromethyl)benzamide
CAS Number:
1007578-83-7
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzamide
InChI:
InChI=1S/C8H5BrF3NO/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H2,13,14)
InChI Key:
NYCJLKMTNDLDGK-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)C(=O)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.033g/mol
Monoisotopic Mass:
266.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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