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76240-92-1 | Benzoic acid, 4-chloro-, (trifluorosilyl)methyl ester
CAS No: 76240-92-1 Catalog No: AG005EL2 MDL No:
Product Description
Catalog Number:
AG005EL2
Chemical Name:
Benzoic acid, 4-chloro-, (trifluorosilyl)methyl ester
CAS Number:
76240-92-1
Molecular Formula:
C8H6ClF3O2Si
Molecular Weight:
254.6657
IUPAC Name:
trifluorosilylmethyl 4-chlorobenzoate
InChI:
InChI=1S/C8H6ClF3O2Si/c9-7-3-1-6(2-4-7)8(13)14-5-15(10,11)12/h1-4H,5H2
InChI Key:
YOYBYKTYPCYLOJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)OC[Si](F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.978g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.664g/mol
Monoisotopic Mass:
253.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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