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58656-98-7 | Tert-Butyl 4-Fluorobenzoate
CAS No: 58656-98-7 Catalog No: AG00371H MDL No:MFCD01320759
Product Description
Catalog Number:
AG00371H
Chemical Name:
Tert-Butyl 4-Fluorobenzoate
CAS Number:
58656-98-7
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
MDL Number:
MFCD01320759
IUPAC Name:
tert-butyl 4-fluorobenzoate
InChI:
InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key:
ZZLARVGXLOCKHG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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