N-Phenylanthranilic Acid

CAT: 0127-OR1014463-01Size: 25 gDry Ice: NoHazardous: No

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CAS Number

91-40-7

MDL Number

MFCD00002421

Purity

98%

Smiles

OC(=O)c1ccccc1Nc2ccccc2

Chemical Information

N-Phenylanthranilic Acid

Fenamic acid is an aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. It has a role as a membrane transport modulator. It is an aminobenzoic acid and a secondary amino compound. It is functionally related to an anthranilic acid.

CAS Number	91-40-7
PubChem CID	4386
IUPAC Name	2-anilinobenzoic acid
Molecular Formula	C13H11NO2
Molecular Weight	213.23
XLogP	4.4
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	236

SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)

InChIKey

ZWJINEZUASEZBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-40-7

CID: 4386

Formula: C13H11NO2

MW: 213.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	213.23
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	213.078978594
Monoisotopic Mass	213.078978594
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
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

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N-Phenylanthranilic Acid

Chemical Information

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