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1704081-52-6 | (3-(((2,4-Dimethoxybenzyl)amino)methyl)-5-fluorophenyl)boronic acid
CAS No: 1704081-52-6 Catalog No: AG01FG1O MDL No:MFCD28400435
Product Description
Catalog Number:
AG01FG1O
Chemical Name:
(3-(((2,4-Dimethoxybenzyl)amino)methyl)-5-fluorophenyl)boronic acid
CAS Number:
1704081-52-6
MDL Number:
MFCD28400435
IUPAC Name:
[3-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C16H19BFNO4/c1-22-15-4-3-12(16(8-15)23-2)10-19-9-11-5-13(17(20)21)7-14(18)6-11/h3-8,19-21H,9-10H2,1-2H3
InChI Key:
NXUGHIGDSPEPQS-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.139g/mol
Monoisotopic Mass:
319.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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