Meclofenamic Acid-d4

CAT: 0024-sc-218678Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218678Size:1 mg

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CAS Number

1185072-18-7

Chemical Information

2-(2,6-Dichloro-3-methylanilino)(~2~H_4_)benzoic acid

CAS Number	1185072-18-7
PubChem CID	46782107
IUPAC Name	2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid
Molecular Formula	C14H11Cl2NO2
Molecular Weight	300.2
XLogP	5.2
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	327

SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=C(C=CC(=C2Cl)C)Cl)[2H])[2H]

InChI

InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/i2D,3D,4D,5D

InChIKey

SBDNJUWAMKYJOX-QFFDRWTDSA-N

Chemical Structure

2D Structure

CAS: 1185072-18-7

CID: 46782107

Formula: C14H11Cl2NO2

MW: 300.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.2
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	299.0417910
Monoisotopic Mass	299.0417910
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327
Isotope Atom Count	4
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
sc-211780	Meclofenamic Acid
sc-209614	3-Hydroxymethyl Meclofenamic Acid
sc-488366	Indoleacetic Acid-d4
sc-257051	Acetic acid-d4
sc-257051B	Acetic acid-d4
sc-488132	Latanoprost Acid-d4
sc-481133B	Apovincaminic acid-d4
sc-495724	Glafenic Acid-d4
sc-478699	Palmitic Acid-d4
sc-491046	Mefenamic-d4 Acid

Catalog	Name
015855	Meclofenamic Acid-d4
TRC-H947862-100MG	3-Hydroxymethyl Meclofenamic Acid-d4
C04185	Meclofenamic acid
HY-117275R	Meclofenamic acid (Standard)
HY-B1320-01	Meclofenamic acid (sodium)
T0260-01	Meclofenamic acid sodium
HY-117275S1-01	Meclofenamic acid-13C6