Home Other Building Blocks 1H-Pyrrole, 1-(methyl-d3)- (9CI)

1H-Pyrrole, 1-(methyl-d3)- (9CI)

CAS No.:
20687-13-2
Catalog Number:
AG002IQL
Molecular Formula:
C5H4D3N
Molecular Weight:
84.1343
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Product Description
Catalog Number:
AG002IQL
Chemical Name:
1H-Pyrrole, 1-(methyl-d3)- (9CI)
CAS Number:
20687-13-2
Molecular Formula:
C5H4D3N
Molecular Weight:
84.1343
MDL Number:
MFCD03428284
IUPAC Name:
1-(trideuteriomethyl)pyrrole
InChI:
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3/i1D3
InChI Key:
OXHNLMTVIGZXSG-FIBGUPNXSA-N
SMILES:
C([2H])(n1cccc1)([2H])[2H]
Properties
Complexity:
37.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.077g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
84.136g/mol
Monoisotopic Mass:
84.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties