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215121-50-9 | 4-[N'-(4-Chloro-benzoyl)-hydrazino]-4-oxo-butyric acid
CAS No: 215121-50-9 Catalog No: AG01F82Z MDL No:
Product Description
Catalog Number:
AG01F82Z
Chemical Name:
4-[N'-(4-Chloro-benzoyl)-hydrazino]-4-oxo-butyric acid
CAS Number:
215121-50-9
Molecular Formula:
C11H11ClN2O4
Molecular Weight:
270.6690
IUPAC Name:
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxobutanoic acid
InChI:
InChI=1S/C11H11ClN2O4/c12-8-3-1-7(2-4-8)11(18)14-13-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)
InChI Key:
YKGSNTZTZKRBDE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)NNC(=O)CCC(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.669g/mol
Monoisotopic Mass:
270.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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