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Home > Boronic Acids > 147223-09-4
147223-09-4 | Boronic acid, (4-decyl-2,3-difluorophenyl)- (9CI)
CAS No: 147223-09-4 Catalog No: AG001EQD MDL No:
Product Description
Catalog Number:
AG001EQD
Chemical Name:
Boronic acid, (4-decyl-2,3-difluorophenyl)- (9CI)
CAS Number:
147223-09-4
Molecular Formula:
C16H25BF2O2
Molecular Weight:
298.1763
IUPAC Name:
(4-decyl-2,3-difluorophenyl)boronic acid
InChI:
InChI=1S/C16H25BF2O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(17(20)21)16(19)15(13)18/h11-12,20-21H,2-10H2,1H3
InChI Key:
VJSKAJBAWZZPDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.192g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.181g/mol
Monoisotopic Mass:
298.192g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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