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Home > Boronic Acids > 1312693-57-4
1312693-57-4 | Boronic acid, B-[1-(difluoromethyl)-1H-pyrazol-4-yl]-
CAS No: 1312693-57-4 Catalog No: AG000VTC MDL No:MFCD21363058
Product Description
Catalog Number:
AG000VTC
Chemical Name:
Boronic acid, B-[1-(difluoromethyl)-1H-pyrazol-4-yl]-
CAS Number:
1312693-57-4
Molecular Formula:
C4H5BF2N2O2
Molecular Weight:
161.9025
MDL Number:
MFCD21363058
IUPAC Name:
[1-(difluoromethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C4H5BF2N2O2/c6-4(7)9-2-3(1-8-9)5(10)11/h1-2,4,10-11H
InChI Key:
UOXFJNMDWKLYQZ-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)C(F)F)O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.903g/mol
Monoisotopic Mass:
162.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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