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133486-71-2 | 2-bromo-2-[4-(trifluoromethyl)phenyl]acetic acid
CAS No: 133486-71-2 Catalog No: AG01EISK MDL No:
Product Description
Catalog Number:
AG01EISK
Chemical Name:
2-bromo-2-[4-(trifluoromethyl)phenyl]acetic acid
CAS Number:
133486-71-2
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
IUPAC Name:
2-bromo-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-7(8(14)15)5-1-3-6(4-2-5)9(11,12)13/h1-4,7H,(H,14,15)
InChI Key:
FHNAJANYYJCFOL-UHFFFAOYSA-N
SMILES:
BrC(c1ccc(cc1)C(F)(F)F)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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