Home Halogens 4-(3,4-Dichloro-benzoylamino)-1-methyl-1H-pyrrole--2-carboxylic acid

4-(3,4-Dichloro-benzoylamino)-1-methyl-1H-pyrrole--2-carboxylic acid

CAS No.:
886496-70-4
Catalog Number:
AG01EYBQ
Molecular Formula:
C13H10Cl2N2O3
Molecular Weight:
313.1361
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$107
- +
1g
1 week
United States
$177
- +
5g
1 week
United States
$594
- +
25g
1 week
United States
$2677
- +
Product Description
Catalog Number:
AG01EYBQ
Chemical Name:
4-(3,4-Dichloro-benzoylamino)-1-methyl-1H-pyrrole--2-carboxylic acid
CAS Number:
886496-70-4
Molecular Formula:
C13H10Cl2N2O3
Molecular Weight:
313.1361
MDL Number:
MFCD05665606
IUPAC Name:
4-[(3,4-dichlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C13H10Cl2N2O3/c1-17-6-8(5-11(17)13(19)20)16-12(18)7-2-3-9(14)10(15)4-7/h2-6H,1H3,(H,16,18)(H,19,20)
InChI Key:
UJHUMEYJIHQQRE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)Cl)Cl)Nc1cc(n(c1)C)C(=O)O
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.007g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.134g/mol
Monoisotopic Mass:
312.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties