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Home > Boronic Acids > 843663-18-3
843663-18-3 | 4-Cyano-3-fluorophenylboronic acid
CAS No: 843663-18-3 Catalog No: AG003L8T MDL No:MFCD03411549
Product Description
Catalog Number:
AG003L8T
Chemical Name:
4-Cyano-3-fluorophenylboronic acid
CAS Number:
843663-18-3
Molecular Formula:
C7H5BFNO2
Molecular Weight:
164.9295
MDL Number:
MFCD03411549
IUPAC Name:
(4-cyano-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
InChI Key:
DECWLXUOZUMPBF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.93g/mol
Monoisotopic Mass:
165.04g/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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