200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1804874-07-4
1804874-07-4 | Benzeneacetic acid, 3-bromo-2-(trifluoromethyl)-
CAS No: 1804874-07-4 Catalog No: AG00220Q MDL No:
Product Description
Catalog Number:
AG00220Q
Chemical Name:
Benzeneacetic acid, 3-bromo-2-(trifluoromethyl)-
CAS Number:
1804874-07-4
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
IUPAC Name:
2-[3-bromo-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-6-3-1-2-5(4-7(14)15)8(6)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
CCAGFVIDOFYRJH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1C(F)(F)F)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.