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115271-20-0

115271-20-0 | Pyrrolo[3,2-b]pyrrole, 3,6-bis(1,1-dimethylethyl)-

CAS No: 115271-20-0 Catalog No: AG000GK0 MDL No:

Product Description

Catalog Number:
AG000GK0
Chemical Name:
Pyrrolo[3,2-b]pyrrole, 3,6-bis(1,1-dimethylethyl)-
CAS Number:
115271-20-0
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
3,6-ditert-butylpyrrolo[3,2-b]pyrrole
InChI:
InChI=1S/C14H20N2/c1-13(2,3)9-7-15-12-10(14(4,5)6)8-16-11(9)12/h7-8H,1-6H3
InChI Key:
UGFUMMVVTKOIOA-UHFFFAOYSA-N
SMILES:
CC(C1=CN=C2C1=NC=C2C(C)(C)C)(C)C

Properties

Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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