Name: Name:2-[(2,5-dimethylphenyl)amino]-3,5-dinitrobenzoic acid
Brand: Angene
SKU: AG01B7HI
Rating: 90 (10 reviews)

2-[(2,5-dimethylphenyl)amino]-3,5-dinitrobenzoic acid

CAS No.:

780758-56-7

Catalog Number:

AG01B7HI

Molecular Formula:

C15H13N3O6

Molecular Weight:

331.2802

Catalog Number:

AG01B7HI

Chemical Name:

2-[(2,5-dimethylphenyl)amino]-3,5-dinitrobenzoic acid

CAS Number:

780758-56-7

Molecular Formula:

C15H13N3O6

Molecular Weight:

331.2802

MDL Number:

MFCD00386068

IUPAC Name:

2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid

InChI:

InChI=1S/C15H13N3O6/c1-8-3-4-9(2)12(5-8)16-14-11(15(19)20)6-10(17(21)22)7-13(14)18(23)24/h3-7,16H,1-2H3,(H,19,20)

InChI Key:

OHWQQPLHLSWMCP-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.284g/mol

Monoisotopic Mass:

331.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

141A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9