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1993-98-2 | Benzoic acid, 3-fluoro-2-(1-naphthalenylcarbonyl)-
CAS No: 1993-98-2 Catalog No: AG002C1P MDL No:
Product Description
Catalog Number:
AG002C1P
Chemical Name:
Benzoic acid, 3-fluoro-2-(1-naphthalenylcarbonyl)-
CAS Number:
1993-98-2
Molecular Formula:
C18H11FO3
Molecular Weight:
294.2765
IUPAC Name:
3-fluoro-2-(naphthalene-1-carbonyl)benzoic acid
InChI:
InChI=1S/C18H11FO3/c19-15-10-4-9-14(18(21)22)16(15)17(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,21,22)
InChI Key:
IYAAKRMQXYKIQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)c1cccc2c1cccc2)F
NSC Number:
97674
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.281g/mol
Monoisotopic Mass:
294.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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