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Home > Boronic Acids > 1793003-65-2
1793003-65-2 | 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid
CAS No: 1793003-65-2 Catalog No: AG00HZXW MDL No:MFCD22375016
Product Description
Catalog Number:
AG00HZXW
Chemical Name:
4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid
CAS Number:
1793003-65-2
Molecular Formula:
C10H11BFNO2
Molecular Weight:
207.0092
MDL Number:
MFCD22375016
IUPAC Name:
[4-(2-cyanopropan-2-yl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C10H11BFNO2/c1-10(2,6-13)7-3-4-8(11(14)15)9(12)5-7/h3-5,14-15H,1-2H3
InChI Key:
PYLDACORZHNYTJ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)F)B(O)O)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.011g/mol
Monoisotopic Mass:
207.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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