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Home > Boronic Acids > 1309981-67-6
1309981-67-6 | [2-(TERT-BUTOXYCARBONYL)-5-METHOXYPHENYL]BORONIC ACID
CAS No: 1309981-67-6 Catalog No: AG000VA1 MDL No:
Product Description
Catalog Number:
AG000VA1
Chemical Name:
[2-(TERT-BUTOXYCARBONYL)-5-METHOXYPHENYL]BORONIC ACID
CAS Number:
1309981-67-6
Molecular Formula:
C24H34B2O10
Molecular Weight:
504.1428
IUPAC Name:
[5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
InChI:
InChI=1S/C12H17BO5/c1-12(2,3)18-11(14)9-6-5-8(17-4)7-10(9)13(15)16/h5-7,15-16H,1-4H3
InChI Key:
CTIOQISLJFDJQX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)B(O)O)C(=O)OC(C)(C)C.COc1ccc(c(c1)B(O)O)C(=O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.073g/mol
Monoisotopic Mass:
252.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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