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Home > Fluorides > 1212146-72-9
1212146-72-9 | 4-Fluoro-N-((S)-1-hydrazinocarbonyl-2-methyl-propyl)-benzamide
CAS No: 1212146-72-9 Catalog No: AG01F64J MDL No:
Product Description
Catalog Number:
AG01F64J
Chemical Name:
4-Fluoro-N-((S)-1-hydrazinocarbonyl-2-methyl-propyl)-benzamide
CAS Number:
1212146-72-9
Molecular Formula:
C12H16FN3O2
Molecular Weight:
253.2727
IUPAC Name:
4-fluoro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
InChI:
InChI=1S/C12H16FN3O2/c1-7(2)10(12(18)16-14)15-11(17)8-3-5-9(13)6-4-8/h3-7,10H,14H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChI Key:
GTVHJEXLDSJVRU-JTQLQIEISA-N
SMILES:
NNC(=O)[C@H](C(C)C)NC(=O)c1ccc(cc1)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.277g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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