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

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

CAS No.:
126480-98-6
Catalog Number:
AG01B5LH
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
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Product Description
Catalog Number:
AG01B5LH
Chemical Name:
methyl 2-chloro-1H-pyrrole-3-carboxylate
CAS Number:
126480-98-6
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD12924047
IUPAC Name:
methyl 2-chloro-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C6H6ClNO2/c1-10-6(9)4-2-3-8-5(4)7/h2-3,8H,1H3
InChI Key:
JJYROUBBPPVBNV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc[nH]c1Cl
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