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873101-91-8 | Borinic acid, diethynyl-, 8-quinolinyl ester
CAS No: 873101-91-8 Catalog No: AG004LHT MDL No:
Product Description
Catalog Number:
AG004LHT
Chemical Name:
Borinic acid, diethynyl-, 8-quinolinyl ester
CAS Number:
873101-91-8
Molecular Formula:
C13H8BNO
Molecular Weight:
205.0197
IUPAC Name:
diethynyl(quinolin-8-yloxy)borane
InChI:
InChI=1S/C13H8BNO/c1-3-14(4-2)16-12-9-5-7-11-8-6-10-15-13(11)12/h1-2,5-10H
InChI Key:
PZKCPVBGYUZTQK-UHFFFAOYSA-N
SMILES:
C#CB(Oc1cccc2c1nccc2)C#C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.023g/mol
Monoisotopic Mass:
205.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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