Name: Name:3-nitro-4-{[1-(pyridin-2-yl)ethyl]amino}benzoic acid
Brand: Angene
SKU: AG019WRJ
Rating: 90 (10 reviews)

3-nitro-4-{[1-(pyridin-2-yl)ethyl]amino}benzoic acid

CAS No.:

1154243-77-2

Catalog Number:

AG019WRJ

Molecular Formula:

C14H13N3O4

Molecular Weight:

287.2707

Catalog Number:

AG019WRJ

Chemical Name:

3-nitro-4-{[1-(pyridin-2-yl)ethyl]amino}benzoic acid

CAS Number:

1154243-77-2

Molecular Formula:

C14H13N3O4

Molecular Weight:

287.2707

MDL Number:

MFCD12913182

IUPAC Name:

3-nitro-4-(1-pyridin-2-ylethylamino)benzoic acid

InChI:

InChI=1S/C14H13N3O4/c1-9(11-4-2-3-7-15-11)16-12-6-5-10(14(18)19)8-13(12)17(20)21/h2-9,16H,1H3,(H,18,19)

InChI Key:

ZEAWEKYCJCHJEG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1NC(c1ccccn1)C)C(=O)O

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.275g/mol

Monoisotopic Mass:

287.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7