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Home > Boronic Acids > 1256346-23-2
1256346-23-2 | Boronic acid, B-(4-chloro-2-fluoro-3-propoxyphenyl)-
CAS No: 1256346-23-2 Catalog No: AG000O1B MDL No:MFCD17015739
Product Description
Catalog Number:
AG000O1B
Chemical Name:
Boronic acid, B-(4-chloro-2-fluoro-3-propoxyphenyl)-
CAS Number:
1256346-23-2
Molecular Formula:
C9H11BClFO3
Molecular Weight:
232.4442
MDL Number:
MFCD17015739
IUPAC Name:
(4-chloro-2-fluoro-3-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BClFO3/c1-2-5-15-9-7(11)4-3-6(8(9)12)10(13)14/h3-4,13-14H,2,5H2,1H3
InChI Key:
RURLWBLBYLHJSQ-UHFFFAOYSA-N
SMILES:
CCCOc1c(Cl)ccc(c1F)B(O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.442g/mol
Monoisotopic Mass:
232.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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