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Home > Fluorides > 1343436-42-9
1343436-42-9 | 4-(Cyclopropylmethoxy)-3,5-difluorobenzoic acid
CAS No: 1343436-42-9 Catalog No: AG01F9T3 MDL No:
Product Description
Catalog Number:
AG01F9T3
Chemical Name:
4-(Cyclopropylmethoxy)-3,5-difluorobenzoic acid
CAS Number:
1343436-42-9
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
IUPAC Name:
4-(cyclopropylmethoxy)-3,5-difluorobenzoic acid
InChI:
InChI=1S/C11H10F2O3/c12-8-3-7(11(14)15)4-9(13)10(8)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)
InChI Key:
PFVZZPBKPNWGMO-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1OCC1CC1)F)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.195g/mol
Monoisotopic Mass:
228.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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