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Home > Fluorides > 1402232-75-0
1402232-75-0 | 3-Fluoro-4-[(3-methyloxetan-3-yl)methoxy]benzoic acid
CAS No: 1402232-75-0 Catalog No: AG01F8AC MDL No:
Product Description
Catalog Number:
AG01F8AC
Chemical Name:
3-Fluoro-4-[(3-methyloxetan-3-yl)methoxy]benzoic acid
CAS Number:
1402232-75-0
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
IUPAC Name:
3-fluoro-4-[(3-methyloxetan-3-yl)methoxy]benzoic acid
InChI:
InChI=1S/C12H13FO4/c1-12(5-16-6-12)7-17-10-3-2-8(11(14)15)4-9(10)13/h2-4H,5-7H2,1H3,(H,14,15)
InChI Key:
KJINDCACIYIRJB-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OCC1(C)COC1)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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