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1256826-25-1 | 5-(Difluoromethoxy)nicotinic acid
CAS No: 1256826-25-1 Catalog No: AG01FECK MDL No:
Product Description
Catalog Number:
AG01FECK
Chemical Name:
5-(Difluoromethoxy)nicotinic acid
CAS Number:
1256826-25-1
Molecular Formula:
C7H5F2NO3
Molecular Weight:
189.1163
IUPAC Name:
5-(difluoromethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5F2NO3/c8-7(9)13-5-1-4(6(11)12)2-10-3-5/h1-3,7H,(H,11,12)
InChI Key:
CZBZVUUQOFVLGA-UHFFFAOYSA-N
SMILES:
FC(Oc1cncc(c1)C(=O)O)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.118g/mol
Monoisotopic Mass:
189.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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