Name: Name:N-[3-(5,6-Dimethyl-benzooxazol-2-yl)-phenyl]-2,4-dinitro-benzamide
Brand: Angene
SKU: AG01F2FO
Rating: 90 (10 reviews)

N-[3-(5,6-Dimethyl-benzooxazol-2-yl)-phenyl]-2,4-dinitro-benzamide

CAS No.:

332152-84-8

Catalog Number:

AG01F2FO

Molecular Formula:

C22H16N4O6

Molecular Weight:

432.3856

Catalog Number:

AG01F2FO

Chemical Name:

N-[3-(5,6-Dimethyl-benzooxazol-2-yl)-phenyl]-2,4-dinitro-benzamide

CAS Number:

332152-84-8

Molecular Formula:

C22H16N4O6

Molecular Weight:

432.3856

MDL Number:

MFCD01144381

IUPAC Name:

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,4-dinitrobenzamide

InChI:

InChI=1S/C22H16N4O6/c1-12-8-18-20(9-13(12)2)32-22(24-18)14-4-3-5-15(10-14)23-21(27)17-7-6-16(25(28)29)11-19(17)26(30)31/h3-11H,1-2H3,(H,23,27)

InChI Key:

CMJBDSAZFODAMM-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc1cccc(c1)c1oc2c(n1)cc(c(c2)C)C

Complexity:

724

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

432.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

432.392g/mol

Monoisotopic Mass:

432.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

147A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6