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159191-44-3 | (4-(Dibenzylamino);phenyl);boronic acid
CAS No: 159191-44-3 Catalog No: AG003K73 MDL No:MFCD06798225
Product Description
Catalog Number:
AG003K73
Chemical Name:
(4-(Dibenzylamino);phenyl);boronic acid
CAS Number:
159191-44-3
Molecular Formula:
C20H20BNO2
Molecular Weight:
317.1893
MDL Number:
MFCD06798225
IUPAC Name:
[4-(dibenzylamino)phenyl]boronic acid
InChI:
InChI=1S/C20H20BNO2/c23-21(24)19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,23-24H,15-16H2
InChI Key:
KLGQJKOCSXZOBV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.195g/mol
Monoisotopic Mass:
317.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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