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35327-87-8 | (2E,4Z)-4-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
CAS No: 35327-87-8 Catalog No: AG00CVB8 MDL No:
Product Description
Catalog Number:
AG00CVB8
Chemical Name:
(2E,4Z)-4-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
CAS Number:
35327-87-8
IUPAC Name:
4-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylbut-2-en-1-one
InChI:
InChI=1S/C19H17NOS/c1-2-20-16-11-6-7-13-18(16)22-19(20)14-8-12-17(21)15-9-4-3-5-10-15/h3-14H,2H2,1H3
InChI Key:
NZOWVNKBBLMBHB-UHFFFAOYSA-N
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.411g/mol
Monoisotopic Mass:
307.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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