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Home > Aldehydes > 1020718-69-7
1020718-69-7 | Benzaldehyde-2,3,4,5-d4, 6-nitro-
CAS No: 1020718-69-7 Catalog No: AG0006IZ MDL No:
Product Description
Catalog Number:
AG0006IZ
Chemical Name:
Benzaldehyde-2,3,4,5-d4, 6-nitro-
CAS Number:
1020718-69-7
Molecular Formula:
C7HD4NO3
Molecular Weight:
155.1441
IUPAC Name:
2,3,4,5-tetradeuterio-6-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H/i1D,2D,3D,4D
InChI Key:
CMWKITSNTDAEDT-RHQRLBAQSA-N
SMILES:
O=Cc1c([2H])c([2H])c(c(c1[N+](=O)[O-])[2H])[2H]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
155.145g/mol
Monoisotopic Mass:
155.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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