200,000+ products from a single source!
sales@angenechem.com
21101-67-7 | 2-Propenoic acid, 3-[4-[(trifluoromethyl)thio]phenyl]-
CAS No: 21101-67-7 Catalog No: AG002L40 MDL No:MFCD03002854
Product Description
Catalog Number:
AG002L40
Chemical Name:
2-Propenoic acid, 3-[4-[(trifluoromethyl)thio]phenyl]-
CAS Number:
21101-67-7
Molecular Formula:
C10H7F3O2S
Molecular Weight:
248.2216
MDL Number:
MFCD03002854
IUPAC Name:
3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H7F3O2S/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)
InChI Key:
UNRRBIKDFCHNDJ-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.219g/mol
Monoisotopic Mass:
248.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.