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Home > Boronic Acids > 1300750-50-8
1300750-50-8 | Boronic acid, B-[2-(difluoromethoxy)-3-pyridinyl]-
CAS No: 1300750-50-8 Catalog No: AG000TYX MDL No:MFCD18261901
Product Description
Catalog Number:
AG000TYX
Chemical Name:
Boronic acid, B-[2-(difluoromethoxy)-3-pyridinyl]-
CAS Number:
1300750-50-8
Molecular Formula:
C6H6BF2NO3
Molecular Weight:
188.9245
MDL Number:
MFCD18261901
IUPAC Name:
[2-(difluoromethoxy)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H6BF2NO3/c8-6(9)13-5-4(7(11)12)2-1-3-10-5/h1-3,6,11-12H
InChI Key:
YTNMJXVIJXDALS-UHFFFAOYSA-N
SMILES:
FC(Oc1ncccc1B(O)O)F
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.925g/mol
Monoisotopic Mass:
189.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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