Home Carboxys 4,5-Difluoro-2-methylindole-3-carboxylic acid ethyl ester

4,5-Difluoro-2-methylindole-3-carboxylic acid ethyl ester

CAS No.:
886362-67-0
Catalog Number:
AG004BGO
Molecular Formula:
C12H11F2NO2
Molecular Weight:
239.2180
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$298
- +
5g
97%
1 week
United States
$1082
- +
Product Description
Catalog Number:
AG004BGO
Chemical Name:
4,5-Difluoro-2-methylindole-3-carboxylic acid ethyl ester
CAS Number:
886362-67-0
Molecular Formula:
C12H11F2NO2
Molecular Weight:
239.2180
MDL Number:
MFCD03839911
IUPAC Name:
ethyl 4,5-difluoro-2-methyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C12H11F2NO2/c1-3-17-12(16)9-6(2)15-8-5-4-7(13)11(14)10(8)9/h4-5,15H,3H2,1-2H3
InChI Key:
JWJWOIIIIAAFQN-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2F)F
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.076g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.222g/mol
Monoisotopic Mass:
239.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties