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Home > Boronic Acids > 1449132-54-0
1449132-54-0 | 5-(2,5-Dichlorophenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS No: 1449132-54-0 Catalog No: AG00HX9O MDL No:MFCD20040175
Product Description
Catalog Number:
AG00HX9O
Chemical Name:
5-(2,5-Dichlorophenylcarbamoyl)-3-fluorobenzeneboronic acid
CAS Number:
1449132-54-0
Molecular Formula:
C13H9BCl2FNO3
Molecular Weight:
327.9309
MDL Number:
MFCD20040175
IUPAC Name:
[3-[(2,5-dichlorophenyl)carbamoyl]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H9BCl2FNO3/c15-9-1-2-11(16)12(6-9)18-13(19)7-3-8(14(20)21)5-10(17)4-7/h1-6,20-21H,(H,18,19)
InChI Key:
RIYQHRIACCPXTP-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)B(O)O)C(=O)Nc1cc(Cl)ccc1Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.004g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.927g/mol
Monoisotopic Mass:
327.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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