COMPOUND: C06643
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Entry
C06643 Compound
Name
4,4'-Dichlorobenzophenone;
DBP
Formula
C13H8Cl2O
Exact mass
249.9952
Mol weight
251.10
Structure
Mol file
KCF file
DB search
Reaction
R05479
Other DBs
CAS:
90-98-2
PubChem:
8869
ChEBI:
194706
NIKKAJI:
J39.679F
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KCF data
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ATOM 16
1 C5a C 28.8400 -16.2590
2 C8y C 30.0515 -16.9554
3 C8y C 27.6285 -16.9554
4 O5a O 28.8400 -14.8543
5 C8x C 30.0515 -18.3601
6 C8x C 31.2688 -16.2590
7 C8x C 27.6285 -18.3543
8 C8x C 26.4169 -16.2590
9 C8x C 31.2688 -19.0567
10 C8x C 32.4746 -16.9554
11 C8x C 26.4169 -19.0567
12 C8x C 25.1996 -16.9554
13 C8y C 32.4746 -18.3601
14 C8y C 25.1996 -18.3543
15 X Cl 33.6861 -19.0567
16 X Cl 23.9881 -19.0567
BOND 17
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 5 9 1
9 6 10 2
10 7 11 2
11 8 12 1
12 9 13 2
13 11 14 1
14 13 15 1
15 14 16 1
16 10 13 1
17 12 14 2
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