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920009-36-5 | 2-Benzofurancarboxylic acid, 5-[2-(4,4-difluoro-1-piperidinyl)ethoxy]-
CAS No: 920009-36-5 Catalog No: AG006G67 MDL No:
Product Description
Catalog Number:
AG006G67
Chemical Name:
2-Benzofurancarboxylic acid, 5-[2-(4,4-difluoro-1-piperidinyl)ethoxy]-
CAS Number:
920009-36-5
Molecular Formula:
C16H17F2NO4
Molecular Weight:
325.3073
IUPAC Name:
5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C16H17F2NO4/c17-16(18)3-5-19(6-4-16)7-8-22-12-1-2-13-11(9-12)10-14(23-13)15(20)21/h1-2,9-10H,3-8H2,(H,20,21)
InChI Key:
WRLJYLMSLMVPNQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1)cc(cc2)OCCN1CCC(CC1)(F)F
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.113g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.312g/mol
Monoisotopic Mass:
325.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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