Home Halogens Methyl 3-chloro-1H-pyrrole-2-carboxylate

Methyl 3-chloro-1H-pyrrole-2-carboxylate

CAS No.:
226410-00-0
Catalog Number:
AG003RRV
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$61
- +
5g
90%
In Stock USA
United States
$144
- +
Product Description
Catalog Number:
AG003RRV
Chemical Name:
Methyl 3-chloro-1H-pyrrole-2-carboxylate
CAS Number:
226410-00-0
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD20661619
IUPAC Name:
methyl 3-chloro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6ClNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H3
InChI Key:
YFKTWBUEAJFGRQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ccc1Cl
Properties
Complexity:
140  
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:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties