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Home > Boronic Acids > 144873-97-2
144873-97-2 | Boronic acid, B-[2-[1-(triphenylmethyl)-1H-tetrazol-5-yl]phenyl]-
CAS No: 144873-97-2 Catalog No: AG001KA6 MDL No:MFCD11521594
Product Description
Catalog Number:
AG001KA6
Chemical Name:
Boronic acid, B-[2-[1-(triphenylmethyl)-1H-tetrazol-5-yl]phenyl]-
CAS Number:
144873-97-2
Molecular Formula:
C26H21BN4O2
Molecular Weight:
432.2815
MDL Number:
MFCD11521594
IUPAC Name:
[2-(1-trityltetrazol-5-yl)phenyl]boronic acid
InChI:
InChI=1S/C26H21BN4O2/c32-27(33)24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,32-33H
InChI Key:
LCOAZIDDOCSTQX-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.176g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.29g/mol
Monoisotopic Mass:
432.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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