Name: Name:Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-
Brand: Angene
SKU: AG0015N6
Rating: 90 (10 reviews)

Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-

CAS No.:

1217366-74-9

Catalog Number:

AG0015N6

Molecular Formula:

C16H12BrNO3

Molecular Weight:

346.1754

Catalog Number:

AG0015N6

Chemical Name:

Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-

CAS Number:

1217366-74-9

Molecular Formula:

C16H12BrNO3

Molecular Weight:

346.1754

MDL Number:

MFCD13195647

IUPAC Name:

4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile

InChI:

InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2

InChI Key:

LYBDMDIHPQNASE-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)Oc1ccc(c(c1)C1OCCO1)Br

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.18g/mol

Monoisotopic Mass:

345g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3