Home Nitriles 1-(tert-Butyl)-1H-pyrrole-3-carbonitrile

1-(tert-Butyl)-1H-pyrrole-3-carbonitrile

CAS No.:
1268334-74-2
Catalog Number:
AG00J2HM
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J2HM
Chemical Name:
1-(tert-Butyl)-1H-pyrrole-3-carbonitrile
CAS Number:
1268334-74-2
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
MDL Number:
MFCD18447673
IUPAC Name:
1-tert-butylpyrrole-3-carbonitrile
InChI:
InChI=1S/C9H12N2/c1-9(2,3)11-5-4-8(6-10)7-11/h4-5,7H,1-3H3
InChI Key:
UXQAPTCKGANONW-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(c1)C(C)(C)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties