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10017-89-7 | 2-Benzothiazolecarbohydrazonoyl chloride, N-(4-methylphenyl)-
CAS No: 10017-89-7 Catalog No: AG00015J MDL No:
Product Description
Catalog Number:
AG00015J
Chemical Name:
2-Benzothiazolecarbohydrazonoyl chloride, N-(4-methylphenyl)-
CAS Number:
10017-89-7
Molecular Formula:
C15H12ClN3S
Molecular Weight:
301.7939
IUPAC Name:
N-(4-methylphenyl)-1,3-benzothiazole-2-carbohydrazonoyl chloride
InChI:
InChI=1S/C15H12ClN3S/c1-10-6-8-11(9-7-10)18-19-14(16)15-17-12-4-2-3-5-13(12)20-15/h2-9,18H,1H3
InChI Key:
FGRAGHAPNRTEDS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NN=C(c1nc2c(s1)cccc2)Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.792g/mol
Monoisotopic Mass:
301.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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