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4-Arsanilic Acid

CAT: 0572-TRC-A774110-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A774110-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-50-0
Hazard Statement
Toxic if swallowed; UN number: UN3465; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1ccc(cc1)[As](=O)(O)O
Molecular Formula
C6 H8 As N O3
Molecular Weight
217.05
InChI
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
Additionnal Information
IUPAC name: (4-aminophenyl)arsonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Arsanilic Acid

Arsanilic acid is an organoarsonic acid. It is a conjugate acid of an arsanilate(1-).

CAS Number98-50-0
PubChem CID7389
IUPAC Name(4-aminophenyl)arsonic acid
Molecular FormulaC6H8AsNO3
Molecular Weight217.05
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity171
SMILES
C1=CC(=CC=C1N)[As](=O)(O)O
InChI
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKey
XKNKHVGWJDPIRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arsanilic Acid
CAS: 98-50-0
CID: 7389
Formula: C6H8AsNO3
MW: 217.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight217.05
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.972013
Monoisotopic Mass216.972013
Topological Polar Surface Area83.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes