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3109-50-0 | Benzoic acid, 2-[(8-fluoro-2-naphthalenyl)methyl]-
CAS No: 3109-50-0 Catalog No: AG00323K MDL No:
Product Description
Catalog Number:
AG00323K
Chemical Name:
Benzoic acid, 2-[(8-fluoro-2-naphthalenyl)methyl]-
CAS Number:
3109-50-0
Molecular Formula:
C18H13FO2
Molecular Weight:
280.2930
IUPAC Name:
2-[(8-fluoronaphthalen-2-yl)methyl]benzoic acid
InChI:
InChI=1S/C18H13FO2/c19-17-7-3-5-13-9-8-12(11-16(13)17)10-14-4-1-2-6-15(14)18(20)21/h1-9,11H,10H2,(H,20,21)
InChI Key:
OQTDFYLTTPPDIL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cc1ccc2c(c1)c(F)ccc2
NSC Number:
74890
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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