200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 871940-31-7
871940-31-7 | (3-Cyano-2,4-difluorophenyl);boronic acid
CAS No: 871940-31-7 Catalog No: AG008F6E MDL No:MFCD12026699
Product Description
Catalog Number:
AG008F6E
Chemical Name:
(3-Cyano-2,4-difluorophenyl);boronic acid
CAS Number:
871940-31-7
Molecular Formula:
C7H4BF2NO2
Molecular Weight:
182.9200
MDL Number:
MFCD12026699
IUPAC Name:
(3-cyano-2,4-difluorophenyl)boronic acid
InChI:
InChI=1S/C7H4BF2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H
InChI Key:
VQEKFJVJHSVFTM-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)ccc(c1F)B(O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.921g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.