Home Other Building Blocks ETHYL 4-(1H-PYRROL-1-YL)BENZOATE

ETHYL 4-(1H-PYRROL-1-YL)BENZOATE

CAS No.:
5044-37-1
Catalog Number:
AG00D844
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG00D844
Chemical Name:
ETHYL 4-(1H-PYRROL-1-YL)BENZOATE
CAS Number:
5044-37-1
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD01313323
IUPAC Name:
ethyl 4-pyrrol-1-ylbenzoate
InChI:
InChI=1S/C13H13NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14/h3-10H,2H2,1H3
InChI Key:
FOELSWUYONNGSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1cccc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties