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Home > Nitro Compounds > 1211160-14-3
1211160-14-3 | N,N-dimethyl-4-nitro(2,6-(2)H2)aniline
CAS No: 1211160-14-3 Catalog No: AG01FCKG MDL No:
Product Description
Catalog Number:
AG01FCKG
Chemical Name:
N,N-dimethyl-4-nitro(2,6-(2)H2)aniline
CAS Number:
1211160-14-3
Molecular Formula:
C8H8D2N2O2
Molecular Weight:
168.1895
IUPAC Name:
2,6-dideuterio-N,N-dimethyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3/i3D,4D
InChI Key:
QJAIOCKFIORVFU-NMQOAUCRSA-N
SMILES:
CN(c1c([2H])cc(cc1[2H])[N+](=O)[O-])C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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