Name: Name:2-([2-(4-dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol
Brand: Angene
SKU: AG01EUZ6
Rating: 90 (10 reviews)

2-([2-(4-dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol

CAS No.:

331445-27-3

Catalog Number:

AG01EUZ6

Molecular Formula:

C22H18N4O4

Molecular Weight:

402.4027

Catalog Number:

AG01EUZ6

Chemical Name:

2-([2-(4-dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol

CAS Number:

331445-27-3

Molecular Formula:

C22H18N4O4

Molecular Weight:

402.4027

MDL Number:

MFCD00753662

IUPAC Name:

2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenol

InChI:

InChI=1S/C22H18N4O4/c1-25(2)17-6-3-14(4-7-17)22-24-19-12-16(5-10-21(19)30-22)23-13-15-11-18(26(28)29)8-9-20(15)27/h3-13,27H,1-2H3

InChI Key:

QUISVBWHVNEDPJ-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1/C=N/c1ccc2c(c1)nc(o2)c1ccc(cc1)N(C)C)[N+](=O)[O-]

Complexity:

617

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.41g/mol

Monoisotopic Mass:

402.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3