Name: Name:4-[(2-methoxyethyl)amino]-3-nitrobenzoic acid
Brand: Angene
SKU: AG019OJQ
Rating: 90 (10 reviews)

4-[(2-methoxyethyl)amino]-3-nitrobenzoic acid

CAS No.:

284672-80-6

Catalog Number:

AG019OJQ

Molecular Formula:

C10H12N2O5

Molecular Weight:

240.2127

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Product Description

Catalog Number:

AG019OJQ

Chemical Name:

4-[(2-methoxyethyl)amino]-3-nitrobenzoic acid

CAS Number:

284672-80-6

Molecular Formula:

C10H12N2O5

Molecular Weight:

240.2127

MDL Number:

MFCD02089281

IUPAC Name:

4-(2-methoxyethylamino)-3-nitrobenzoic acid

InChI:

InChI=1S/C10H12N2O5/c1-17-5-4-11-8-3-2-7(10(13)14)6-9(8)12(15)16/h2-3,6,11H,4-5H2,1H3,(H,13,14)

InChI Key:

RSCXWQLDHNTXQJ-UHFFFAOYSA-N

SMILES:

COCCNc1ccc(cc1[N+](=O)[O-])C(=O)O

Properties

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.215g/mol

Monoisotopic Mass:

240.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b.	Bioorganic & medicinal chemistry letters 20071201