5-(3-Acetylphenyl)-2-fluorobenzoic acid - CAS 1261991-55-2

Catalog:	BB075398
Product Name:	5-(3-Acetylphenyl)-2-fluorobenzoic acid
CAS:	1261991-55-2
Synonyms:	5-(3-ACETYLPHENYL)-2-FLUOROBENZOIC ACID; 3'-Acetyl-4-fluoro-[1,1'-biphenyl]-3-carboxylic acid; 3'-Acetyl-4-fluoro-[1,1'-biphenyl]-3-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	5-(3-acetylphenyl)-2-fluorobenzoic acid
Description:	5-(3-Acetylphenyl)-2-fluorobenzoic acid
Molecular Weight:	258.24
Molecular Formula:	C15H11FO3
Canonical SMILES:	CC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(7-10)12-5-6-14(16)13(8-12)15(18)19/h2-8H,1H3,(H,18,19)
InChI Key:	HLGJEERINMQHRG-UHFFFAOYSA-N

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Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.06922237
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.06922237
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9