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871817-05-9 | Borinic acid, (3-cyanophenyl)ethenyl-, 8-quinolinyl ester
CAS No: 871817-05-9 Catalog No: AG008F6T MDL No:
Product Description
Catalog Number:
AG008F6T
Chemical Name:
Borinic acid, (3-cyanophenyl)ethenyl-, 8-quinolinyl ester
CAS Number:
871817-05-9
Molecular Formula:
C18H13BN2O
Molecular Weight:
284.1196
IUPAC Name:
2-(3-cyanophenyl)ethenyl-quinolin-8-yloxyboron
InChI:
InChI=1S/C18H12BN2O/c20-13-15-5-1-4-14(12-15)9-10-19-22-17-8-2-6-16-7-3-11-21-18(16)17/h1-12H
InChI Key:
NHRIOKKNCBJYIL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C=CBOc1cccc2c1nccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.117g/mol
Monoisotopic Mass:
283.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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