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Home > Boronic Acids > 1793003-51-6
1793003-51-6 | 3-Chloro-4-fluoro-5-(2-methylpropoxy)phenylboronic acid
CAS No: 1793003-51-6 Catalog No: AG00HZXR MDL No:MFCD20529449
Product Description
Catalog Number:
AG00HZXR
Chemical Name:
3-Chloro-4-fluoro-5-(2-methylpropoxy)phenylboronic acid
CAS Number:
1793003-51-6
Molecular Formula:
C10H13BClFO3
Molecular Weight:
246.4708
MDL Number:
MFCD20529449
IUPAC Name:
[3-chloro-4-fluoro-5-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H13BClFO3/c1-6(2)5-16-9-4-7(11(14)15)3-8(12)10(9)13/h3-4,6,14-15H,5H2,1-2H3
InChI Key:
JFJZOURFXZQHDI-UHFFFAOYSA-N
SMILES:
CC(COc1cc(cc(c1F)Cl)B(O)O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.469g/mol
Monoisotopic Mass:
246.063g/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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