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Home > Boronic Acids > 1628442-75-0
1628442-75-0 | (4-cyano-2,5-difluorophenyl)boronic acid
CAS No: 1628442-75-0 Catalog No: AG01AN0V MDL No:MFCD07644473
Product Description
Catalog Number:
AG01AN0V
Chemical Name:
(4-cyano-2,5-difluorophenyl)boronic acid
CAS Number:
1628442-75-0
Molecular Formula:
C7H4BF2NO2
Molecular Weight:
182.9200
MDL Number:
MFCD07644473
IUPAC Name:
(4-cyano-2,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C7H4BF2NO2/c9-6-2-5(8(12)13)7(10)1-4(6)3-11/h1-2,12-13H
InChI Key:
UQMRRVKHBGKIAF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1F)B(O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.921g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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