COMPOUND: C00225
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Entry
C00225 Compound
Name
Methyl viologen;
Paraquat dichloride;
1,1'-Dimethyl-4,4'-bipyridinium dichloride
Formula
C12H14N2. 2Cl
Exact mass
256.0534
Mol weight
257.159
Structure
Mol file
KCF file
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CAS:
1910-42-5
PubChem:
3525
ChEBI:
28786
NIKKAJI:
J203.515D
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KCF data
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ATOM 16
1 C8y C 24.1308 -23.1758
2 C8y C 25.5109 -23.1642
3 C8x C 23.4350 -24.4039
4 C8x C 23.4116 -21.9595
5 C8x C 26.2244 -24.3746
6 C8x C 26.2010 -21.9478
7 C8x C 22.0374 -24.4039
8 C8x C 22.0140 -21.9829
9 C8x C 27.6279 -24.3746
10 C8x C 27.6045 -22.0003
11 N5y N 21.3298 -23.1875 #+
12 N5y N 28.3179 -23.1466 #+
13 C1a C 19.9380 -23.1992
14 C1a C 29.8440 -23.1991
15 X Cl 16.9765 -23.1934 #-
16 X Cl 32.3664 -23.1232 #-
BOND 15
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 8 11 2
15 10 12 2
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