Home Carboxys 4-Chloro-1-methyl-1h-pyrrole-2-carboxylic acid

4-Chloro-1-methyl-1h-pyrrole-2-carboxylic acid

CAS No.:
877964-38-0
Catalog Number:
AG00IERS
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00IERS
Chemical Name:
4-Chloro-1-methyl-1h-pyrrole-2-carboxylic acid
CAS Number:
877964-38-0
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD07850245
IUPAC Name:
4-chloro-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H6ClNO2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
BLQFVHZDNOJQFF-UHFFFAOYSA-N
SMILES:
Cn1cc(cc1C(=O)O)Cl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties