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2-Arsanilic Acid

CAT: 0572-TRC-A774100-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A774100-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2045-00-3
Hazard Statement
Toxic if swallowed; UN number: UN3465; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1ccccc1[As](=O)(O)O
Molecular Formula
C6 H8 As N O3
Molecular Weight
217.05
InChI
InChI=1S/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
Additionnal Information
IUPAC name: (2-aminophenyl)arsonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Aminophenylarsonic acid
CAS Number2045-00-3
PubChem CID73161
IUPAC Name(2-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
Complexity179
SMILES
C1=CC=C(C(=C1)N)[As](=O)(O)O
InChI
InChI=1S/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKey
LQCOCUQCZYAYQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminophenylarsonic acid
CAS: 2045-00-3
CID: 73161
Formula: C6H8AsNO3
MW: 217.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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
Complexity179
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

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