Home Carboxys 4-(4-Chloro-2-fluoro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid

4-(4-Chloro-2-fluoro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:
478803-85-9
Catalog Number:
AG01EW48
Molecular Formula:
C13H10ClFN2O3
Molecular Weight:
296.6815
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$177
- +
5g
95%
1 week
United States
$594
- +
25g
95%
1 week
United States
$2677
- +
Product Description
Catalog Number:
AG01EW48
Chemical Name:
4-(4-Chloro-2-fluoro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
478803-85-9
Molecular Formula:
C13H10ClFN2O3
Molecular Weight:
296.6815
MDL Number:
MFCD04973894
IUPAC Name:
4-[(4-chloro-2-fluorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C13H10ClFN2O3/c1-17-6-8(5-11(17)13(19)20)16-12(18)9-3-2-7(14)4-10(9)15/h2-6H,1H3,(H,16,18)(H,19,20)
InChI Key:
PPFMJQFZMNYHOC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)C(=O)Nc1cn(c(c1)C(=O)O)C
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.036g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.682g/mol
Monoisotopic Mass:
296.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties