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1215206-26-0 | Benzoic acid, 2-chloro-5-fluoro-, 1,1-dimethylethyl ester
CAS No: 1215206-26-0 Catalog No: AG001573 MDL No:MFCD15143482
Product Description
Catalog Number:
AG001573
Chemical Name:
Benzoic acid, 2-chloro-5-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1215206-26-0
Molecular Formula:
C11H12ClFO2
Molecular Weight:
230.6632
MDL Number:
MFCD15143482
IUPAC Name:
tert-butyl 2-chloro-5-fluorobenzoate
InChI:
InChI=1S/C11H12ClFO2/c1-11(2,3)15-10(14)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3
InChI Key:
JFEFMXISBNOWHV-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)ccc1Cl)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.663g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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