200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 883899-07-8
883899-07-8 | 3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester
CAS No: 883899-07-8 Catalog No: AG004FDU MDL No:MFCD08669549
Product Description
Catalog Number:
AG004FDU
Chemical Name:
3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester
CAS Number:
883899-07-8
Molecular Formula:
C12H13BBrNO2
Molecular Weight:
293.9521
MDL Number:
MFCD08669549
IUPAC Name:
2-bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
InChI:
InChI=1S/C12H13BBrNO2/c1-12(2)7-16-13(17-8-12)10-4-3-5-11(14)9(10)6-15/h3-5H,7-8H2,1-2H3
InChI Key:
CULSSICMSNLRST-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1Br)B1OCC(CO1)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.955g/mol
Monoisotopic Mass:
293.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.