200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1003043-25-1
1003043-25-1 | Benzoic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
CAS No: 1003043-25-1 Catalog No: AG0001JM MDL No:
Product Description
Catalog Number:
AG0001JM
Chemical Name:
Benzoic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
CAS Number:
1003043-25-1
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-6-4-5-7-9(8)12(14)15/h4-7,14-15H,1-3H3
InChI Key:
NGCHASOIZPPFBK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1B(O)O)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.