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Home > Boronic Acids > 1072946-55-4
1072946-55-4 | 2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
CAS No: 1072946-55-4 Catalog No: AG003HJH MDL No:MFCD10696251
Product Description
Catalog Number:
AG003HJH
Chemical Name:
2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
CAS Number:
1072946-55-4
Molecular Formula:
C7H7BF3NO3
Molecular Weight:
220.9416
MDL Number:
MFCD10696251
IUPAC Name:
[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H7BF3NO3/c1-15-6-5(8(13)14)2-4(3-12-6)7(9,10)11/h2-3,13-14H,1H3
InChI Key:
ZXQVVERDCVTXAI-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1B(O)O)C(F)(F)F
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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