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Home > Fluorides > 1330750-41-8
1330750-41-8 | Benzoic acid, 2-fluoro-4-propoxy-, methyl ester
CAS No: 1330750-41-8 Catalog No: AG00146B MDL No:MFCD19981550
Product Description
Catalog Number:
AG00146B
Chemical Name:
Benzoic acid, 2-fluoro-4-propoxy-, methyl ester
CAS Number:
1330750-41-8
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD19981550
IUPAC Name:
methyl 2-fluoro-4-propoxybenzoate
InChI:
InChI=1S/C11H13FO3/c1-3-6-15-8-4-5-9(10(12)7-8)11(13)14-2/h4-5,7H,3,6H2,1-2H3
InChI Key:
UENVVTLOYMGCGU-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)F)C(=O)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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