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Home > Boronic Acids > 481725-36-4
481725-36-4 | 4-Bromoacetyl-3-fluorophenylboronic acid
CAS No: 481725-36-4 Catalog No: AG003KZD MDL No:MFCD06796423
Product Description
Catalog Number:
AG003KZD
Chemical Name:
4-Bromoacetyl-3-fluorophenylboronic acid
CAS Number:
481725-36-4
Molecular Formula:
C8H7BBrFO3
Molecular Weight:
260.8528
MDL Number:
MFCD06796423
IUPAC Name:
[4-(2-bromoacetyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C8H7BBrFO3/c10-4-8(12)6-2-1-5(9(13)14)3-7(6)11/h1-3,13-14H,4H2
InChI Key:
BXVHKBNJUHSCRF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1F)B(O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.853g/mol
Monoisotopic Mass:
259.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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