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1214327-60-2 | Benzeneacetic acid, 2-bromo-3-(trifluoromethyl)-
CAS No: 1214327-60-2 Catalog No: AG0014RM MDL No:
Product Description
Catalog Number:
AG0014RM
Chemical Name:
Benzeneacetic acid, 2-bromo-3-(trifluoromethyl)-
CAS Number:
1214327-60-2
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
IUPAC Name:
2-[2-bromo-3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
WMTWWLPXWJYUGT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1Br)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
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