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Home > Boronic Acids > 1801916-87-9
1801916-87-9 | (3-cyano-2-fluoro-5-methylphenyl)boronic acid
CAS No: 1801916-87-9 Catalog No: AG01BOJD MDL No:MFCD30499194
Product Description
Catalog Number:
AG01BOJD
Chemical Name:
(3-cyano-2-fluoro-5-methylphenyl)boronic acid
CAS Number:
1801916-87-9
Molecular Formula:
C8H7BFNO2
Molecular Weight:
178.9561
MDL Number:
MFCD30499194
IUPAC Name:
(3-cyano-2-fluoro-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H7BFNO2/c1-5-2-6(4-11)8(10)7(3-5)9(12)13/h2-3,12-13H,1H3
InChI Key:
NHSWQDXNSFFPGH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1F)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.957g/mol
Monoisotopic Mass:
179.055g/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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