Name: Name:[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-[3-(3-nitro-phenyl)-allylidene]-amine
Brand: Angene
SKU: AG01F3WI
Rating: 90 (10 reviews)

[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-[3-(3-nitro-phenyl)-allylidene]-amine

CAS No.:

330681-68-0

Catalog Number:

AG01F3WI

Molecular Formula:

C22H13Cl2N3O3

Molecular Weight:

438.2629

Catalog Number:

AG01F3WI

Chemical Name:

[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-[3-(3-nitro-phenyl)-allylidene]-amine

CAS Number:

330681-68-0

Molecular Formula:

C22H13Cl2N3O3

Molecular Weight:

438.2629

MDL Number:

MFCD00638269

IUPAC Name:

(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine

InChI:

InChI=1S/C22H13Cl2N3O3/c23-15-6-8-18(19(24)12-15)22-26-20-13-16(7-9-21(20)30-22)25-10-2-4-14-3-1-5-17(11-14)27(28)29/h1-13H/b4-2+,25-10?

InChI Key:

PQMQLKQXFSQCGQ-NHIQZFGHSA-N

SMILES:

Clc1ccc(c(c1)Cl)c1nc2c(o1)ccc(c2)/N=C/C=C/c1cccc(c1)[N+](=O)[O-]

Complexity:

656

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

437.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

438.264g/mol

Monoisotopic Mass:

437.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.2