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26018-67-7 | 2-Benzofurancarboxylic acid, 6-fluoro-2,3-dihydro-
CAS No: 26018-67-7 Catalog No: AG002RE9 MDL No:MFCD20648124
Product Description
Catalog Number:
AG002RE9
Chemical Name:
2-Benzofurancarboxylic acid, 6-fluoro-2,3-dihydro-
CAS Number:
26018-67-7
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD20648124
IUPAC Name:
6-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H7FO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H,11,12)
InChI Key:
QYCMWISFBYJVHV-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(O1)cc(cc2)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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