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16275-59-5 | 1,8-Naphthalenedicarboxylic acid, 4-fluoro-
CAS No: 16275-59-5 Catalog No: AG001TEL MDL No:
Product Description
Catalog Number:
AG001TEL
Chemical Name:
1,8-Naphthalenedicarboxylic acid, 4-fluoro-
CAS Number:
16275-59-5
Molecular Formula:
C12H7FO4
Molecular Weight:
234.1800
IUPAC Name:
4-fluoronaphthalene-1,8-dicarboxylic acid
InChI:
InChI=1S/C12H7FO4/c13-9-5-4-8(12(16)17)10-6(9)2-1-3-7(10)11(14)15/h1-5H,(H,14,15)(H,16,17)
InChI Key:
FDVPVNPKXXRQBA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(ccc2F)C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.182g/mol
Monoisotopic Mass:
234.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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