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Home > Bromides > 1092460-68-8
1092460-68-8 | 3-Bromo-5-(trifluoromethoxy)cinnamic acid
CAS No: 1092460-68-8 Catalog No: AG01FBGO MDL No:
Product Description
Catalog Number:
AG01FBGO
Chemical Name:
3-Bromo-5-(trifluoromethoxy)cinnamic acid
CAS Number:
1092460-68-8
Molecular Formula:
C10H6BrF3O3
Molecular Weight:
311.0520
IUPAC Name:
3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6BrF3O3/c11-7-3-6(1-2-9(15)16)4-8(5-7)17-10(12,13)14/h1-5H,(H,15,16)
InChI Key:
XYTPGFWRUNQUGF-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cc(cc(c1)Br)OC(F)(F)F
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.054g/mol
Monoisotopic Mass:
309.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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