Name: Name:1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
Brand: Angene
SKU: AG00G8M0
Rating: 90 (10 reviews)

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

CAS No.:

796967-48-1

Catalog Number:

AG00G8M0

Molecular Formula:

C20H22BF3N2O3

Molecular Weight:

406.2065

Catalog Number:

AG00G8M0

Chemical Name:

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

CAS Number:

796967-48-1

Molecular Formula:

C20H22BF3N2O3

Molecular Weight:

406.2065

MDL Number:

MFCD15530091

IUPAC Name:

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

InChI:

InChI=1S/C20H22BF3N2O3/c1-18(2)19(3,4)29-21(28-18)14-8-10-15(11-9-14)25-17(27)26-16-7-5-6-13(12-16)20(22,23)24/h5-12H,1-4H3,(H2,25,26,27)

InChI Key:

YNESXENNYVJJQN-UHFFFAOYSA-N

SMILES:

O=C(Nc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Complexity:

576

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

406.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

406.212g/mol

Monoisotopic Mass:

406.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: