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873102-34-2 | Borinic acid, bis(3-chlorophenyl)-, 2-amino-8-quinolinyl ester
CAS No: 873102-34-2 Catalog No: AG004OQ3 MDL No:
Product Description
Catalog Number:
AG004OQ3
Chemical Name:
Borinic acid, bis(3-chlorophenyl)-, 2-amino-8-quinolinyl ester
CAS Number:
873102-34-2
Molecular Formula:
C21H15BCl2N2O
Molecular Weight:
393.0736
IUPAC Name:
8-bis(3-chlorophenyl)boranyloxyquinolin-2-amine
InChI:
InChI=1S/C21H15BCl2N2O/c23-17-7-2-5-15(12-17)22(16-6-3-8-18(24)13-16)27-19-9-1-4-14-10-11-20(25)26-21(14)19/h1-13H,(H2,25,26)
InChI Key:
AMLAKGRBRNVRAQ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)B(c1cccc(c1)Cl)Oc1cccc2c1nc(N)cc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.065g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.074g/mol
Monoisotopic Mass:
392.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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