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Home > Boronic Acids > 1451393-27-3
1451393-27-3 | 5-Bromo-3-chloro-2-fluorophenylboronic acid
CAS No: 1451393-27-3 Catalog No: AG00AR52 MDL No:MFCD12026726
Product Description
Catalog Number:
AG00AR52
Chemical Name:
5-Bromo-3-chloro-2-fluorophenylboronic acid
CAS Number:
1451393-27-3
Molecular Formula:
C6H4BBrClFO2
Molecular Weight:
253.2612
MDL Number:
MFCD12026726
IUPAC Name:
(5-bromo-3-chloro-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBrClFO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
InChI Key:
JDUOEAUGCPUWHW-UHFFFAOYSA-N
SMILES:
Brc1cc(B(O)O)c(c(c1)Cl)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.916g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
251.916g/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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