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Home > Bromides > 1214386-97-6
1214386-97-6 | Benzoic acid, 3-bromo-4-(trifluoromethyl)-, ethyl ester
CAS No: 1214386-97-6 Catalog No: AG0014ZC MDL No:MFCD14698179
Product Description
Catalog Number:
AG0014ZC
Chemical Name:
Benzoic acid, 3-bromo-4-(trifluoromethyl)-, ethyl ester
CAS Number:
1214386-97-6
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
MDL Number:
MFCD14698179
IUPAC Name:
ethyl 3-bromo-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8BrF3O2/c1-2-16-9(15)6-3-4-7(8(11)5-6)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
WFSHWYNATMAQHP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.071g/mol
Monoisotopic Mass:
295.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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