Home Carboxys tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate

tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate

CAS No.:
1380500-94-6
Catalog Number:
AG00NH9T
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$141
- +
1g
97%
1 week
United States
$244
- +
5g
97%
1 week
United States
$760
- +
Product Description
Catalog Number:
AG00NH9T
Chemical Name:
tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate
CAS Number:
1380500-94-6
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD28166176
IUPAC Name:
tert-butyl 2-cyanopyrrole-1-carboxylate
InChI:
InChI=1S/C10H12N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h4-6H,1-3H3
InChI Key:
GDHNTBXGTBFNIC-UHFFFAOYSA-N
SMILES:
N#Cc1cccn1C(=O)OC(C)(C)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties