Cas no 877060-46-3 ((1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid)

(1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid structure
877060-46-3 structure
Product Name:(1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid
CAS No:877060-46-3
MF:C13H11BN2O4S
MW:302.113441705704
CID:710030
PubChem ID:57355054
Update Time:2025-04-19

(1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid
    • [1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]boronic acid
    • 1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine-2-ylboronic acid
    • Boronic acid,B-[1-(phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-
    • AB43653
    • 877060-46-3
    • (1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronicacid
    • Boronic acid, [1-(phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-
    • 1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine-2-ylboronicacid
    • CKB06046
    • DTXSID90722865
    • [1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]boronic acid
    • 1-(PHENYLSULFONYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YLBORONIC ACID
    • Inchi： 1S/C13H11BN2O4S/c17-14(18)13-8-10-9-15-7-6-12(10)16(13)21(19,20)11-4-2-1-3-5-11/h1-9,17-18H
    • InChI Key： AEPCINJIBTWCOL-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)(N1C(B(O)O)=CC2C=NC=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 302.0532582g/mol
  • Monoisotopic Mass: 302.0532582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 461
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.80000
  • LogP: 1.03390

(1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl)boronic acid Pricemore >>

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