200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1610537-15-9
1610537-15-9 | 1H-1,2,3-Triazole-5-methanol, α-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-α-(1-methylethyl)-, (αS)-
CAS No: 1610537-15-9 Catalog No: AG001VLJ MDL No:
Product Description
Catalog Number:
AG001VLJ
Chemical Name:
1H-1,2,3-Triazole-5-methanol, α-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-α-(1-methylethyl)-, (αS)-
CAS Number:
1610537-15-9
Molecular Formula:
C18H17F4N3O3
Molecular Weight:
399.3395
IUPAC Name:
(1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
InChI:
InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1
InChI Key:
ZBRAJOQFSNYJMF-SFHVURJKSA-N
SMILES:
FC(Oc1cc2cc(ccc2cc1OC(F)F)[C@](c1[nH]nnc1)(C(C)C)O)F
UNII:
8S5OIN36X4
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
399.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.346g/mol
Monoisotopic Mass:
399.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.