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5NAA

CAT: 0931-T19724-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T19724-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
616-79-5
Target
Others
Related Pathways
Others
Purity
0.9993
Bioactivity
5NAA is a molecule secreted by Streptomyces scabies and is a raw material for the synthesis of dyes and other nitroaromatic compounds.
Smiles
NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Molecular Formula
C7H6N2O4
Molecular Weight
182.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-5-nitrobenzoic acid

5-nitroanthranilic acid is an aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group. It is a conjugate acid of a 5-nitroanthranilate.

CAS Number616-79-5
PubChem CID12032
IUPAC Name2-amino-5-nitrobenzoic acid
Molecular FormulaC7H6N2O4
Molecular Weight182.13
XLogP1.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity225
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N
InChI
InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKey
RUCHWTKMOWXHLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-nitrobenzoic acid
CAS: 616-79-5
CID: 12032
Formula: C7H6N2O4
MW: 182.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass182.03275668
Monoisotopic Mass182.03275668
Topological Polar Surface Area109 Ų
Heavy Atom Count13
Formal Charge0
Complexity225
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

Alternative Products

CatalogName
M24617-015NAA

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