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1823296-98-5 | Methyl 2,4-Difluoro-5-(trifluoromethyl)benzoate
CAS No: 1823296-98-5 Catalog No: AG01FH8E MDL No:
Product Description
Catalog Number:
AG01FH8E
Chemical Name:
Methyl 2,4-Difluoro-5-(trifluoromethyl)benzoate
CAS Number:
1823296-98-5
IUPAC Name:
methyl 2,4-difluoro-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H5F5O2/c1-16-8(15)4-2-5(9(12,13)14)7(11)3-6(4)10/h2-3H,1H3
InChI Key:
NPYCZGDHAGNYQQ-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.129g/mol
Monoisotopic Mass:
240.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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