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Home > Nitro Compounds > 1313855-66-1
1313855-66-1 | 4-Nitrobenzyl morpholine-4-carbodithioate
CAS No: 1313855-66-1 Catalog No: AG00HSGC MDL No:MFCD24849124
Product Description
Catalog Number:
AG00HSGC
Chemical Name:
4-Nitrobenzyl morpholine-4-carbodithioate
CAS Number:
1313855-66-1
Molecular Formula:
C12H14N2O3S2
Molecular Weight:
298.3812
MDL Number:
MFCD24849124
IUPAC Name:
(4-nitrophenyl)methyl morpholine-4-carbodithioate
InChI:
InChI=1S/C12H14N2O3S2/c15-14(16)11-3-1-10(2-4-11)9-19-12(18)13-5-7-17-8-6-13/h1-4H,5-9H2
InChI Key:
ZGEUXOYPPBYZSB-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.375g/mol
Monoisotopic Mass:
298.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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