200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 876918-32-0
876918-32-0 | Boronic acid, [3-cyano-4-(2-methylpropoxy)phenyl]-
CAS No: 876918-32-0 Catalog No: AG01DTMD MDL No:MFCD26387475
Product Description
Catalog Number:
AG01DTMD
Chemical Name:
Boronic acid, [3-cyano-4-(2-methylpropoxy)phenyl]-
CAS Number:
876918-32-0
Molecular Formula:
C11H14BNO3
Molecular Weight:
219.0448
MDL Number:
MFCD26387475
IUPAC Name:
[3-cyano-4-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H14BNO3/c1-8(2)7-16-11-4-3-10(12(14)15)5-9(11)6-13/h3-5,8,14-15H,7H2,1-2H3
InChI Key:
ZRLYHURWZGCNKP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OCC(C)C)B(O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.047g/mol
Monoisotopic Mass:
219.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.