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Aniline-d5

CAS No.:
4165-61-1
Catalog Number:
AG0037FX
Molecular Formula:
C6H2D5N
Molecular Weight:
98.1573
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Product Description
Catalog Number:
AG0037FX
Chemical Name:
Aniline-d5
CAS Number:
4165-61-1
Molecular Formula:
C6H2D5N
Molecular Weight:
98.1573
MDL Number:
MFCD00044420
IUPAC Name:
2,3,4,5,6-pentadeuterioaniline
InChI:
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D
InChI Key:
PAYRUJLWNCNPSJ-RALIUCGRSA-N
SMILES:
c1([2H])c(N)c([2H])c(c(c1[2H])[2H])[2H]
EC Number:
224-015-9
Properties
Complexity:
46.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
5  
Molecular Weight:
98.16g/mol
Monoisotopic Mass:
98.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties