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Home > Boronic Acids > 1256346-21-0
1256346-21-0 | Boronic acid, B-[4-chloro-2-fluoro-3-(1-methylethoxy)phenyl]-
CAS No: 1256346-21-0 Catalog No: AG000O1C MDL No:MFCD17015738
Product Description
Catalog Number:
AG000O1C
Chemical Name:
Boronic acid, B-[4-chloro-2-fluoro-3-(1-methylethoxy)phenyl]-
CAS Number:
1256346-21-0
Molecular Formula:
C9H11BClFO3
Molecular Weight:
232.4442
MDL Number:
MFCD17015738
IUPAC Name:
(4-chloro-2-fluoro-3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BClFO3/c1-5(2)15-9-7(11)4-3-6(8(9)12)10(13)14/h3-5,13-14H,1-2H3
InChI Key:
XOILYAAAOAAWDH-UHFFFAOYSA-N
SMILES:
CC(Oc1c(Cl)ccc(c1F)B(O)O)C
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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