Name: Name:4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-3-fluorophenylboronic acid
Brand: Angene
SKU: AG00ARMX
Rating: 90 (10 reviews)

4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-3-fluorophenylboronic acid

CAS No.:

1704064-00-5

Catalog Number:

AG00ARMX

Molecular Formula:

C16H24BFN2O4

Molecular Weight:

338.1822

Catalog Number:

AG00ARMX

Chemical Name:

4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-3-fluorophenylboronic acid

CAS Number:

1704064-00-5

Molecular Formula:

C16H24BFN2O4

Molecular Weight:

338.1822

MDL Number:

MFCD28384232

IUPAC Name:

[3-fluoro-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid

InChI:

InChI=1S/C16H24BFN2O4/c1-16(2,3)24-15(21)20-8-6-19(7-9-20)11-12-4-5-13(17(22)23)10-14(12)18/h4-5,10,22-23H,6-9,11H2,1-3H3

InChI Key:

XLDYCBRJWKIQDK-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)Cc1ccc(cc1F)B(O)O)OC(C)(C)C

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.181g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.186g/mol

Monoisotopic Mass:

338.181g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: