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Home > Fluorides > 1429636-88-3
1429636-88-3 | 4-Ethyl-2,3-difluorobenzoic acid
CAS No: 1429636-88-3 Catalog No: AG01FHE5 MDL No:
Product Description
Catalog Number:
AG01FHE5
Chemical Name:
4-Ethyl-2,3-difluorobenzoic acid
CAS Number:
1429636-88-3
IUPAC Name:
4-ethyl-2,3-difluorobenzoic acid
InChI:
InChI=1S/C9H8F2O2/c1-2-5-3-4-6(9(12)13)8(11)7(5)10/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
YAFRUIMPERQEFC-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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