Home Other Building Blocks 3-TERT-BUTYL-1H-PYRROLE

3-TERT-BUTYL-1H-PYRROLE

CAS No.:
7721-49-5
Catalog Number:
AG01E0VS
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG01E0VS
Chemical Name:
3-TERT-BUTYL-1H-PYRROLE
CAS Number:
7721-49-5
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD19216863
IUPAC Name:
3-tert-butyl-1H-pyrrole
InChI:
InChI=1S/C8H13N/c1-8(2,3)7-4-5-9-6-7/h4-6,9H,1-3H3
InChI Key:
NHYJULRDUCGYHO-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]cc1)(C)C
Properties
Complexity:
91.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties