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1381952-88-0 | 2-Propenoic acid, 3-[5-bromo-2-(trifluoromethoxy)phenyl]-
CAS No: 1381952-88-0 Catalog No: AG00188Q MDL No:MFCD11042865
Product Description
Catalog Number:
AG00188Q
Chemical Name:
2-Propenoic acid, 3-[5-bromo-2-(trifluoromethoxy)phenyl]-
CAS Number:
1381952-88-0
Molecular Formula:
C10H6BrF3O3
Molecular Weight:
311.0520
MDL Number:
MFCD11042865
IUPAC Name:
(E)-3-[5-bromo-2-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6BrF3O3/c11-7-2-3-8(17-10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
InChI Key:
YKDNHKRIBXNWGZ-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1cc(Br)ccc1OC(F)(F)F
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.7
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