200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 193905-91-8
193905-91-8 | Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester
CAS No: 193905-91-8 Catalog No: AG00I31E MDL No:MFCD23380359
Product Description
Catalog Number:
AG00I31E
Chemical Name:
Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-, 1-methyl ester
CAS Number:
193905-91-8
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD23380359
IUPAC Name:
(3-tert-butyl-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO4/c1-12(2,3)9-5-8(11(14)17-4)6-10(7-9)13(15)16/h5-7,15-16H,1-4H3
InChI Key:
ZZOYTJILBZJPGA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(C)(C)C)B(O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.074g/mol
Monoisotopic Mass:
236.122g/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.