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87697-24-3 | Acetaldehyde, (6-chloro-3-phenyl-2H-1,4-benzothiazin-2-ylidene)-
CAS No: 87697-24-3 Catalog No: AG004JP4 MDL No:
Product Description
Catalog Number:
AG004JP4
Chemical Name:
Acetaldehyde, (6-chloro-3-phenyl-2H-1,4-benzothiazin-2-ylidene)-
CAS Number:
87697-24-3
Molecular Formula:
C16H10ClNOS
Molecular Weight:
299.7747
IUPAC Name:
2-(6-chloro-3-phenyl-1,4-benzothiazin-2-ylidene)acetaldehyde
InChI:
InChI=1S/C16H10ClNOS/c17-12-6-7-14-13(10-12)18-16(15(20-14)8-9-19)11-4-2-1-3-5-11/h1-10H
InChI Key:
PPKJTZMIVAMDLI-UHFFFAOYSA-N
SMILES:
O=CC=C1Sc2ccc(cc2N=C1c1ccccc1)Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.017g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.772g/mol
Monoisotopic Mass:
299.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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