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Home Halogens 1-tert-Butyl 2-(4-chlorophenyl)methyl pyrrole-1,2-dicarboxylate

1-tert-Butyl 2-(4-chlorophenyl)methyl pyrrole-1,2-dicarboxylate

CAS No.:
1951439-48-7
Catalog Number:
AG00I362
Molecular Formula:
C17H18ClNO4
Molecular Weight:
335.7821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$138
- +
5g
96%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00I362
Chemical Name:
1-tert-Butyl 2-(4-chlorophenyl)methyl pyrrole-1,2-dicarboxylate
CAS Number:
1951439-48-7
Molecular Formula:
C17H18ClNO4
Molecular Weight:
335.7821
MDL Number:
MFCD30182391
IUPAC Name:
1-O-tert-butyl 2-O-[(4-chlorophenyl)methyl] pyrrole-1,2-dicarboxylate
InChI:
InChI=1S/C17H18ClNO4/c1-17(2,3)23-16(21)19-10-4-5-14(19)15(20)22-11-12-6-8-13(18)9-7-12/h4-10H,11H2,1-3H3
InChI Key:
ZVWSVEQQFZWMIB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COC(=O)c1cccn1C(=O)OC(C)(C)C
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.092g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.784g/mol
Monoisotopic Mass:
335.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties