Name: Name:Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime
Brand: Angene
SKU: AG000ZRS
Rating: 90 (10 reviews)

Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime

CAS No.:

13181-17-4

Catalog Number:

AG000ZRS

Molecular Formula:

C13H7Br2N3O6

Molecular Weight:

461.0192

Catalog Number:

AG000ZRS

Chemical Name:

Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime

CAS Number:

13181-17-4

Molecular Formula:

C13H7Br2N3O6

Molecular Weight:

461.0192

MDL Number:

MFCD00055409

IUPAC Name:

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol

InChI:

InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+

InChI Key:

XTFNPKDYCLFGPV-OMCISZLKSA-N

SMILES:

Brc1cc(C=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc(c1O)Br

EC Number:

236-129-6

UNII:

Z74704XU6I

Complexity:

485

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

460.868g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

461.022g/mol

Monoisotopic Mass:

458.87g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3