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Home > Bromides > 2089650-81-5
2089650-81-5 | 5-Bromo-2-chloro-4-(trifluoromethyl)benzoic acid
CAS No: 2089650-81-5 Catalog No: AG01FNLE MDL No:
Product Description
Catalog Number:
AG01FNLE
Chemical Name:
5-Bromo-2-chloro-4-(trifluoromethyl)benzoic acid
CAS Number:
2089650-81-5
Molecular Formula:
C8H3BrClF3O2
Molecular Weight:
303.4604
IUPAC Name:
5-bromo-2-chloro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3BrClF3O2/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H,14,15)
InChI Key:
ZFOHGYAHOICPJE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1Cl)C(F)(F)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.896g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.459g/mol
Monoisotopic Mass:
301.896g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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