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156742-45-9 | Boronic acid, B-[2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]-
CAS No: 156742-45-9 Catalog No: AG001OYQ MDL No:
Product Description
Catalog Number:
AG001OYQ
Chemical Name:
Boronic acid, B-[2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]-
CAS Number:
156742-45-9
Molecular Formula:
C23H22BNO2
Molecular Weight:
355.2373
IUPAC Name:
[2-[[anthracen-9-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
InChI:
InChI=1S/C23H22BNO2/c1-25(15-19-10-4-7-13-23(19)24(26)27)16-22-20-11-5-2-8-17(20)14-18-9-3-6-12-21(18)22/h2-14,26-27H,15-16H2,1H3
InChI Key:
WINOYNXPYWZOTE-UHFFFAOYSA-N
SMILES:
CN(Cc1c2ccccc2cc2c1cccc2)Cc1ccccc1B(O)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.174g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.244g/mol
Monoisotopic Mass:
355.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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