200,000+ products from a single source!
sales@angenechem.com
705-29-3 | 1-(Chloromethyl)-3-(trifluoromethyl)benzene
CAS No: 705-29-3 Catalog No: AG003I7D MDL No:MFCD00000908
Product Description
Catalog Number:
AG003I7D
Chemical Name:
1-(Chloromethyl)-3-(trifluoromethyl)benzene
CAS Number:
705-29-3
Molecular Formula:
C8H6ClF3
Molecular Weight:
194.5814
MDL Number:
MFCD00000908
IUPAC Name:
1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChI Key:
XGASTRVQNVVYIZ-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(F)(F)F
EC Number:
211-884-4
NSC Number:
5227
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.581g/mol
Monoisotopic Mass:
194.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound. | Journal of combinatorial chemistry 20090112 |
| Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. | Journal of combinatorial chemistry 20090112 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.