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Home > Boronic Acids > 853945-50-3
853945-50-3 | Boronic acid,B-[10-[4-(1-naphthalenyl)phenyl]-9-anthracenyl]-
CAS No: 853945-50-3 Catalog No: AG008FC2 MDL No:
Product Description
Catalog Number:
AG008FC2
Chemical Name:
Boronic acid,B-[10-[4-(1-naphthalenyl)phenyl]-9-anthracenyl]-
CAS Number:
853945-50-3
Molecular Formula:
C30H21BO2
Molecular Weight:
424.2975
IUPAC Name:
[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]boronic acid
InChI:
InChI=1S/C30H21BO2/c32-31(33)30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,32-33H
InChI Key:
OFXAVYZQVCXGCX-UHFFFAOYSA-N
SMILES:
OB(c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)c1cccc2c1cccc2)O
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.163g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.306g/mol
Monoisotopic Mass:
424.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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