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87894-05-1 | 1,2,3-Thiadiazole-5-carboxaldehyde, 4-phenyl-, oxime
CAS No: 87894-05-1 Catalog No: AG008CEQ MDL No:
Product Description
Catalog Number:
AG008CEQ
Chemical Name:
1,2,3-Thiadiazole-5-carboxaldehyde, 4-phenyl-, oxime
CAS Number:
87894-05-1
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
N-[(4-phenylthiadiazol-5-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H7N3OS/c13-10-6-8-9(11-12-14-8)7-4-2-1-3-5-7/h1-6,13H
InChI Key:
OOXKLBANBDAIPJ-UHFFFAOYSA-N
SMILES:
ON=Cc1snnc1c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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