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Home > Boronic Acids > 1198181-40-6
1198181-40-6 | 2-Cyano-3-(trifluoroMethyl)phenylboronic acid
CAS No: 1198181-40-6 Catalog No: AG00947N MDL No:MFCD17676534
Product Description
Catalog Number:
AG00947N
Chemical Name:
2-Cyano-3-(trifluoroMethyl)phenylboronic acid
CAS Number:
1198181-40-6
Molecular Formula:
C8H5BF3NO2
Molecular Weight:
214.9370
MDL Number:
MFCD17676534
IUPAC Name:
[2-cyano-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF3NO2/c10-8(11,12)6-2-1-3-7(9(14)15)5(6)4-13/h1-3,14-15H
InChI Key:
ISSIRNXSZUZLJV-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C(F)(F)F)B(O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.938g/mol
Monoisotopic Mass:
215.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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