200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 952514-86-2
952514-86-2 | 1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CAS No: 952514-86-2 Catalog No: AG00IIW6 MDL No:MFCD16038225
Product Description
Catalog Number:
AG00IIW6
Chemical Name:
1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CAS Number:
952514-86-2
Molecular Formula:
C25H25BN2O2
Molecular Weight:
396.2892
MDL Number:
MFCD16038225
IUPAC Name:
1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
InChI:
InChI=1S/C25H25BN2O2/c1-24(2)25(3,4)30-26(29-24)19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17H,1-4H3
InChI Key:
IFFQSTWSRPRHBQ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)c1nc2c(n1c1ccccc1)cccc2
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.201g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.297g/mol
Monoisotopic Mass:
396.201g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.