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73664-52-5 | 2,4-DICHLOROBENZALDEHYDE 2-BENZOTHIAZOLYLHYDRAZONE
CAS No: 73664-52-5 Catalog No: AG005XZ3 MDL No:
Product Description
Catalog Number:
AG005XZ3
Chemical Name:
2,4-DICHLOROBENZALDEHYDE 2-BENZOTHIAZOLYLHYDRAZONE
CAS Number:
73664-52-5
Molecular Formula:
C14H9Cl2N3S
Molecular Weight:
322.2124
IUPAC Name:
N-[(2,4-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H9Cl2N3S/c15-10-6-5-9(11(16)7-10)8-17-19-14-18-12-3-1-2-4-13(12)20-14/h1-8H,(H,18,19)
InChI Key:
YUPRYQYVCWVVLK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C=NNc1nc2c(s1)cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.207g/mol
Monoisotopic Mass:
320.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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