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Home > Boronic Acids > 874289-39-1
874289-39-1 | (5-Carbamoyl-2-fluorophenyl);boronic acid
CAS No: 874289-39-1 Catalog No: AG004J09 MDL No:MFCD08436055
Product Description
Catalog Number:
AG004J09
Chemical Name:
(5-Carbamoyl-2-fluorophenyl);boronic acid
CAS Number:
874289-39-1
Molecular Formula:
C7H7BFNO3
Molecular Weight:
182.9448
MDL Number:
MFCD08436055
IUPAC Name:
(5-carbamoyl-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H7BFNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key:
NDVPMVJEURRBQM-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1F)C(=O)N)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.945g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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