5,5-Difluoro-7-(3-hydrazinyl-3-oxopropyl)-1,3-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

Catalog Number

ACM178388711-1

CAS

178388-71-1

Synonyms

BDPFLhydrazide

IUPAC Name

[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]azanium;chloride

Molecular Weight

306.12

Molecular Formula

C14H17BF2N4O

Canonical SMILES

[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N[NH3+])C)C)(F)F.[Cl-]

InChI

InChI=1S/C14H17BF2N4O.ClH/c1-9-7-10(2)20-13(9)8-12-4-3-11(5-6-14(22)19-18)21(12)15(20,16)17;/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,22);1H

InChI Key

YNMWMJPDWBHUBG-UHFFFAOYSA-N

Purity

98%

• Catalog Number: ACM178388711-1
• CAS: 178388-71-1
• Synonyms: BDPFLhydrazide
• IUPAC Name: [3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]azanium;chloride
• Molecular Weight: 306.12
• Molecular Formula: C14H17BF2N4O
• Canonical SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N[NH3+])C)C)(F)F.[Cl-]
• InChI: InChI=1S/C14H17BF2N4O.ClH/c1-9-7-10(2)20-13(9)8-12-4-3-11(5-6-14(22)19-18)21(12)15(20,16)17;/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,22);1H
• InChI Key: YNMWMJPDWBHUBG-UHFFFAOYSA-N
• Purity: 98%