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Home > Bromides > 1214324-11-4
1214324-11-4 | Benzoic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
CAS No: 1214324-11-4 Catalog No: AG0014S4 MDL No:
Product Description
Catalog Number:
AG0014S4
Chemical Name:
Benzoic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
CAS Number:
1214324-11-4
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
IUPAC Name:
methyl 2-bromo-6-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O2/c1-15-8(14)7-5(9(11,12)13)3-2-4-6(7)10/h2-4H,1H3
InChI Key:
CQAHAANYLBWFOP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)cccc1C(F)(F)F
Properties
Complexity:
242
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:
0
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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