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Home > Boronic Acids > 1420830-61-0
1420830-61-0 | 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid
CAS No: 1420830-61-0 Catalog No: AG00HWB3 MDL No:MFCD18254530
Product Description
Catalog Number:
AG00HWB3
Chemical Name:
2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid
CAS Number:
1420830-61-0
Molecular Formula:
C7H7BF3NO3
Molecular Weight:
220.9416
MDL Number:
MFCD18254530
IUPAC Name:
[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H7BF3NO3/c1-15-6-5(7(9,10)11)2-4(3-12-6)8(13)14/h2-3,13-14H,1H3
InChI Key:
XQWLEOMVXZZEFU-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(F)(F)F)B(O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.942g/mol
Monoisotopic Mass:
221.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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