200,000+ products from a single source!
sales@angenechem.com
157652-26-1 | Benzoic acid, 2-(bromomethyl)-4-(trifluoromethyl)-, methyl ester
CAS No: 157652-26-1 Catalog No: AG001PLZ MDL No:
Product Description
Catalog Number:
AG001PLZ
Chemical Name:
Benzoic acid, 2-(bromomethyl)-4-(trifluoromethyl)-, methyl ester
CAS Number:
157652-26-1
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
IUPAC Name:
methyl 2-(bromomethyl)-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8BrF3O2/c1-16-9(15)8-3-2-7(10(12,13)14)4-6(8)5-11/h2-4H,5H2,1H3
InChI Key:
QLDFQRXYVGZLEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1CBr)C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.071g/mol
Monoisotopic Mass:
295.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.