Home Halogens 3-bromo-4-(2,2-difluoroethoxy)benzoic acid

3-bromo-4-(2,2-difluoroethoxy)benzoic acid

CAS No.:
1339780-72-1
Catalog Number:
AG01DSST
Molecular Formula:
C9H7BrF2O3
Molecular Weight:
281.0509
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DSST
Chemical Name:
3-bromo-4-(2,2-difluoroethoxy)benzoic acid
CAS Number:
1339780-72-1
Molecular Formula:
C9H7BrF2O3
Molecular Weight:
281.0509
MDL Number:
MFCD17284344
IUPAC Name:
3-bromo-4-(2,2-difluoroethoxy)benzoic acid
InChI:
InChI=1S/C9H7BrF2O3/c10-6-3-5(9(13)14)1-2-7(6)15-4-8(11)12/h1-3,8H,4H2,(H,13,14)
InChI Key:
QIJZGSPPPKLMTQ-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(cc1Br)C(=O)O)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.955g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.053g/mol
Monoisotopic Mass:
279.955g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties