Home Halogens methyl 5-(3-chlorophenyl)-1H-pyrrole-2-carboxylate

methyl 5-(3-chlorophenyl)-1H-pyrrole-2-carboxylate

CAS No.:
1797395-69-7
Catalog Number:
AG01ACOA
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
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Product Description
Catalog Number:
AG01ACOA
Chemical Name:
methyl 5-(3-chlorophenyl)-1H-pyrrole-2-carboxylate
CAS Number:
1797395-69-7
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD26408056
IUPAC Name:
methyl 5-(3-chlorophenyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-16-12(15)11-6-5-10(14-11)8-3-2-4-9(13)7-8/h2-7,14H,1H3
InChI Key:
BHIHEOBMWLDSEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)c1cccc(c1)Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties