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Home > Boronic Acids > 126822-80-8
126822-80-8 | Boronic acid, B-[3,6-bis(1,1-dimethylethyl)-1-naphthalenyl]-
CAS No: 126822-80-8 Catalog No: AG000T9S MDL No:
Product Description
Catalog Number:
AG000T9S
Chemical Name:
Boronic acid, B-[3,6-bis(1,1-dimethylethyl)-1-naphthalenyl]-
CAS Number:
126822-80-8
Molecular Formula:
C18H25BO2
Molecular Weight:
284.2009
IUPAC Name:
(3,6-ditert-butylnaphthalen-1-yl)boronic acid
InChI:
InChI=1S/C18H25BO2/c1-17(2,3)13-7-8-15-12(9-13)10-14(18(4,5)6)11-16(15)19(20)21/h7-11,20-21H,1-6H3
InChI Key:
XAPSUJYWXKMFGZ-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc2c1ccc(c2)C(C)(C)C)C(C)(C)C)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.206g/mol
Monoisotopic Mass:
284.195g/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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