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863248-28-6 | Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-, methyl ester
CAS No: 863248-28-6 Catalog No: AG004RIG MDL No:MFCD26394963
Product Description
Catalog Number:
AG004RIG
Chemical Name:
Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-, methyl ester
CAS Number:
863248-28-6
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
MDL Number:
MFCD26394963
IUPAC Name:
methyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8BrF3O2/c1-16-9(15)6-2-3-7(5-11)8(4-6)10(12,13)14/h2-4H,5H2,1H3
InChI Key:
LXXRFFAIWGWJMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)CBr
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:
3.2
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