Home Halogens methyl 4-chloro-1H-pyrrole-2-carboxylate

methyl 4-chloro-1H-pyrrole-2-carboxylate

CAS No.:
1194-96-3
Catalog Number:
AG000IPA
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG000IPA
Chemical Name:
methyl 4-chloro-1H-pyrrole-2-carboxylate
CAS Number:
1194-96-3
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD11176523
IUPAC Name:
methyl 4-chloro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChI Key:
LHGVCFRRQZZMCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c[nH]1)Cl
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