N- (2-Fluorophenyl) anthranilic acid

CAT: 0024-sc-358383ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-358383ASize:5 g

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CAS Number

54-58-0

Chemical Information

Anthranilic acid, N-(o-fluorophenyl)-

CAS Number	54-58-0
PubChem CID	120157
IUPAC Name	2-(2-fluoroanilino)benzoic acid
Molecular Formula	C13H10FNO2
Molecular Weight	231.22
XLogP	4.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	272

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2F

InChI

InChI=1S/C13H10FNO2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,(H,16,17)

InChIKey

NKJTXYMGRFCARD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54-58-0

CID: 120157

Formula: C13H10FNO2

MW: 231.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.22
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	231.06955672
Monoisotopic Mass	231.06955672
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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sc-263746	N- (4-Fluorophenyl) anthranilic acid
sc-338111	N- (3-chlorophenyl) anthranilic acid
sc-235901	N- (2-Amino-4-chlorophenyl) anthranilic acid
sc-233881	Anthranilic acid isopropylamide
sc-200734	N- (p-Amylcinnamoyl) anthranilic Acid (ACA)
sc-200734A	N- (p-Amylcinnamoyl) anthranilic Acid (ACA)
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sc-344953	N-Boc-N-methyl-5-chloro anthranilic acid
sc-504504	N- (tert-Butyloxy) carbonyl Anthranilic Acid-13C6

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