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Home > Boronic Acids > 1646614-31-4
1646614-31-4 | 3,5-Dichloro-4-fluorophenylboronic acid
CAS No: 1646614-31-4 Catalog No: AG00HZ3R MDL No:MFCD18837599
Product Description
Catalog Number:
AG00HZ3R
Chemical Name:
3,5-Dichloro-4-fluorophenylboronic acid
CAS Number:
1646614-31-4
Molecular Formula:
C6H4BCl2FO2
Molecular Weight:
208.8102
MDL Number:
MFCD18837599
IUPAC Name:
(3,5-dichloro-4-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BCl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChI Key:
OKZYLWQCOUTIMV-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1)Cl)F)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.804g/mol
Monoisotopic Mass:
207.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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