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Home > Boronic Acids > 844699-71-4
844699-71-4 | Boronic acid,B-(2,3-difluoro-4-propylphenyl)-
CAS No: 844699-71-4 Catalog No: AG008I24 MDL No:
Product Description
Catalog Number:
AG008I24
Chemical Name:
Boronic acid,B-(2,3-difluoro-4-propylphenyl)-
CAS Number:
844699-71-4
Molecular Formula:
C9H11BF2O2
Molecular Weight:
199.9902
IUPAC Name:
(2,3-difluoro-4-propylphenyl)boronic acid
InChI:
InChI=1S/C9H11BF2O2/c1-2-3-6-4-5-7(10(13)14)9(12)8(6)11/h4-5,13-14H,2-3H2,1H3
InChI Key:
ZOJPSSJWKKPQDM-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.992g/mol
Monoisotopic Mass:
200.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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