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Home Boronic acids 4-fluoro-3-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid

4-fluoro-3-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid

CAS No.:
1704063-92-2
Catalog Number:
AG00AROZ
Molecular Formula:
C12H18BFN2O2
Molecular Weight:
252.0929
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Product Description
Catalog Number:
AG00AROZ
Chemical Name:
4-fluoro-3-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
CAS Number:
1704063-92-2
Molecular Formula:
C12H18BFN2O2
Molecular Weight:
252.0929
MDL Number:
MFCD27935736
IUPAC Name:
[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H18BFN2O2/c1-15-4-6-16(7-5-15)9-10-8-11(13(17)18)2-3-12(10)14/h2-3,8,17-18H,4-7,9H2,1H3
InChI Key:
CTZZIMUPKCKUNQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)CN1CCN(CC1)C)F)O
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.145g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.096g/mol
Monoisotopic Mass:
252.145g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties