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100757-08-2 | Benzoic acid, 3,5-dinitro-, 2-[5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene]hydrazide
CAS No: 100757-08-2 Catalog No: AG0002TX MDL No:
Product Description
Catalog Number:
AG0002TX
Chemical Name:
Benzoic acid, 3,5-dinitro-, 2-[5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene]hydrazide
CAS Number:
100757-08-2
Molecular Formula:
C20H17ClN6O7
Molecular Weight:
488.8380
IUPAC Name:
N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3,5-dinitrobenzamide
InChI:
InChI=1S/C20H17ClN6O7/c21-13-1-2-17-16(9-13)18(20(29)25(17)11-24-3-5-34-6-4-24)22-23-19(28)12-7-14(26(30)31)10-15(8-12)27(32)33/h1-2,7-10,29H,3-6,11H2
InChI Key:
WYMMDTJMVMKILY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N2CN1CCOCC1
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.085g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
488.841g/mol
Monoisotopic Mass:
488.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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