200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1214391-55-5
1214391-55-5 | Benzeneacetic acid, 3-bromo-4-(trifluoromethyl)-
CAS No: 1214391-55-5 Catalog No: AG0014Z4 MDL No:MFCD13194217
Product Description
Catalog Number:
AG0014Z4
Chemical Name:
Benzeneacetic acid, 3-bromo-4-(trifluoromethyl)-
CAS Number:
1214391-55-5
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD13194217
IUPAC Name:
2-[3-bromo-4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-7-3-5(4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
KCUGEEWWDJMZHI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)Br)C(F)(F)F
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.