200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 948018-61-9
948018-61-9 | 2-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid
CAS No: 948018-61-9 Catalog No: AG003H92 MDL No:MFCD12198414
Product Description
Catalog Number:
AG003H92
Chemical Name:
2-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid
CAS Number:
948018-61-9
Molecular Formula:
C12H15FN2O2
Molecular Weight:
238.2581
MDL Number:
MFCD12198414
IUPAC Name:
2-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C12H15FN2O2/c1-14-4-6-15(7-5-14)9-2-3-10(12(16)17)11(13)8-9/h2-3,8H,4-7H2,1H3,(H,16,17)
InChI Key:
OVEGQNMSWXCGBQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.262g/mol
Monoisotopic Mass:
238.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.