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66786-23-0 | 3-FLUOROBENZALDEHYDE (2-OXO-2-(10H-PHENOTHIAZIN-10-YL)ETHYL)HYDRAZONE
CAS No: 66786-23-0 Catalog No: AG006HU7 MDL No:
Product Description
Catalog Number:
AG006HU7
Chemical Name:
3-FLUOROBENZALDEHYDE (2-OXO-2-(10H-PHENOTHIAZIN-10-YL)ETHYL)HYDRAZONE
CAS Number:
66786-23-0
Molecular Formula:
C21H16FN3OS
Molecular Weight:
377.4346
IUPAC Name:
2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C21H16FN3OS/c22-16-7-5-6-15(12-16)13-23-24-14-21(26)25-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)25/h1-13,24H,14H2/b23-13+
InChI Key:
CFULBCANWUQWQS-YDZHTSKRSA-N
SMILES:
Fc1cccc(c1)C=NNCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
377.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.437g/mol
Monoisotopic Mass:
377.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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