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Home Other Building Blocks 1-Benzylpyrrole

1-Benzylpyrrole

CAS No.:
2051-97-0
Catalog Number:
AG0029UO
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$138
- +
25g
98%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG0029UO
Chemical Name:
1-Benzylpyrrole
CAS Number:
2051-97-0
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD00963301
IUPAC Name:
1-benzylpyrrole
InChI:
InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2
InChI Key:
FNEQHKCQXDKYEO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cccc1
EC Number:
218-137-1
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors. Bioorganic & medicinal chemistry 20080315
An efficient synthesis of N3,4-diphenyl-5-(4-fluorophenyl)-2-isopropyl-1H-3-pyrrolecarboxamide, a key intermediate for atorvastatin synthesis. Bioorganic & medicinal chemistry letters 20040105
Properties