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Home > Boronic Acids > 1704067-48-0
1704067-48-0 | (3,4-difluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid
CAS No: 1704067-48-0 Catalog No: AG00AR9S MDL No:MFCD28384254
Product Description
Catalog Number:
AG00AR9S
Chemical Name:
(3,4-difluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid
CAS Number:
1704067-48-0
Molecular Formula:
C10H12BF2NO2
Molecular Weight:
227.0156
MDL Number:
MFCD28384254
IUPAC Name:
(3,4-difluoro-5-pyrrolidin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C10H12BF2NO2/c12-8-5-7(11(15)16)6-9(10(8)13)14-3-1-2-4-14/h5-6,15-16H,1-4H2
InChI Key:
DTYDZPRAFWUWJO-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)N1CCCC1)F)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.018g/mol
Monoisotopic Mass:
227.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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