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5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde

5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde

Inquiry

Molecular Formula:

C21H19BF2N2O2

Molecular Weight:

380.2

CAS Number:

2022166-57-8

Catalog Number:

2022166-57-8

Product Information

Molecular Formula:

C21H19BF2N2O2

Molecular Weight:

380.2

Synonyms

5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde; 5,5-difluoro-2,8-diformyl-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

IUPAC Name

2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-5,11-dicarbaldehyde

Canonical SMILES

[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)C=O)C)C4=CC=CC=C4)C)C=O)C)(F)F

InChI

InChI=1S/C21H19BF2N2O2/c1-12-17(10-27)14(3)25-20(12)19(16-8-6-5-7-9-16)21-13(2)18(11-28)15(4)26(21)22(25,23)24/h5-11H,1-4H3

InChI Key

RCPWYTCJRFDFEH-UHFFFAOYSA-N

Purity

98%

Safety Information

Hazards

H315-H319

Precautionary Statement

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

380.1507643

Monoisotopic Mass

380.1507643

Topological Polar Surface Area

42.1

Heavy Atom Count

Formal Charge

Complexity

773

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde

Product Information

Safety Information

Computed Properties

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