200,000+ products from a single source!
sales@angenechem.com
81304-51-0 | (E)-1-(5-METHYL-1,3-DIOXAN-5-YL)-2-(1,2,4-TRIAZOL-1-YL)-3-[4-(TRIFLUOR OMETHYL)PHENYL]PROP-2-EN-1-OL
CAS No: 81304-51-0 Catalog No: AG00534F MDL No:
Product Description
Catalog Number:
AG00534F
Chemical Name:
(E)-1-(5-METHYL-1,3-DIOXAN-5-YL)-2-(1,2,4-TRIAZOL-1-YL)-3-[4-(TRIFLUOR OMETHYL)PHENYL]PROP-2-EN-1-OL
CAS Number:
81304-51-0
Molecular Formula:
C17H18F3N3O3
Molecular Weight:
369.3383
IUPAC Name:
1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
InChI:
InChI=1S/C17H18F3N3O3/c1-16(7-25-11-26-8-16)15(24)14(23-10-21-9-22-23)6-12-2-4-13(5-3-12)17(18,19)20/h2-6,9-10,15,24H,7-8,11H2,1H3
InChI Key:
SBLFAGXVSMRMRX-UHFFFAOYSA-N
SMILES:
OC(C1(C)COCOC1)/C(=C\c1ccc(cc1)C(F)(F)F)/n1cncn1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.344g/mol
Monoisotopic Mass:
369.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.