200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1296716-89-6
1296716-89-6 | Carbamic acid, N-[2,2-dimethyl-5-[6-(phenylmethoxy)-5-(trifluoromethyl)-2-naphthalenyl]-1,3-dioxan-5-yl]-, 1,1-dimethylethyl ester
CAS No: 1296716-89-6 Catalog No: AG000TKO MDL No:MFCD23135346
Product Description
Catalog Number:
AG000TKO
Chemical Name:
Carbamic acid, N-[2,2-dimethyl-5-[6-(phenylmethoxy)-5-(trifluoromethyl)-2-naphthalenyl]-1,3-dioxan-5-yl]-, 1,1-dimethylethyl ester
CAS Number:
1296716-89-6
Molecular Formula:
C29H32F3NO5
Molecular Weight:
531.5633
MDL Number:
MFCD23135346
IUPAC Name:
tert-butyl N-[2,2-dimethyl-5-[6-phenylmethoxy-5-(trifluoromethyl)naphthalen-2-yl]-1,3-dioxan-5-yl]carbamate
InChI:
InChI=1S/C29H32F3NO5/c1-26(2,3)38-25(34)33-28(17-36-27(4,5)37-18-28)21-12-13-22-20(15-21)11-14-23(24(22)29(30,31)32)35-16-19-9-7-6-8-10-19/h6-15H,16-18H2,1-5H3,(H,33,34)
InChI Key:
OZSCRBFTKDDSDN-UHFFFAOYSA-N
SMILES:
O=C(NC1(COC(OC1)(C)C)c1ccc2c(c1)ccc(c2C(F)(F)F)OCc1ccccc1)OC(C)(C)C
Properties
Complexity:
795
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.223g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.572g/mol
Monoisotopic Mass:
531.223g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.