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Home > Fluorides > 1417190-32-9
1417190-32-9 | Benzoic acid, 3-fluoro-6-iodo-2-methyl-, ethyl ester
CAS No: 1417190-32-9 Catalog No: AG001GWX MDL No:MFCD28041189
Product Description
Catalog Number:
AG001GWX
Chemical Name:
Benzoic acid, 3-fluoro-6-iodo-2-methyl-, ethyl ester
CAS Number:
1417190-32-9
Molecular Formula:
C10H10FIO2
Molecular Weight:
308.0881
MDL Number:
MFCD28041189
IUPAC Name:
ethyl 3-fluoro-6-iodo-2-methylbenzoate
InChI:
InChI=1S/C10H10FIO2/c1-3-14-10(13)9-6(2)7(11)4-5-8(9)12/h4-5H,3H2,1-2H3
InChI Key:
CKYMMECDQSWSOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(I)ccc(c1C)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.091g/mol
Monoisotopic Mass:
307.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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