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o-Iodohippuric Acid

CAT: 0572-TRC-I706540-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I706540-1GSize:1 g
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CAS Number
147-58-0
Synonyms
Glycine, N-(2-iodobenzoyl)-; Hippuric acid, o-iodo- (6CI,8CI); N-(2-Iodobenzoyl)glycine; 2-Iodohippuric acid; N-(o-Iodobenzoyl)glycine; o-Iodohippuric acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(=O)CNC(=O)c1ccccc1I
Molecular Formula
C9 H8 I N O3
Molecular Weight
305.07
InChI
InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
Additionnal Information
IUPAC name: 2-[(2-iodobenzoyl)amino]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(2-Iodobenzoyl)glycine

2-iodohippuric acid is a member of the class of benzamides resulting from the formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of glycine. It is a N-acylglycine, a member of benzamides and an organoiodine compound. It is a conjugate acid of a 2-iodohippurate.

CAS Number147-58-0
PubChem CID8614
IUPAC Name2-[(2-iodobenzoyl)amino]acetic acid
Molecular FormulaC9H8INO3
Molecular Weight305.07
XLogP1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity232
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
InChI
InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey
CORFWQGVBFFZHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Iodobenzoyl)glycine
CAS: 147-58-0
CID: 8614
Formula: C9H8INO3
MW: 305.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.07
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass304.95489
Monoisotopic Mass304.95489
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity232
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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