COMPOUND: C15143
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Entry
C15143 Compound
Name
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone
Formula
C19H16I2O3
Exact mass
545.9189
Mol weight
546.1375
Structure
Mol file
KCF file
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CAS:
1951-26-4
PubChem:
17396140
ChEBI:
79661
NIKKAJI:
J199.772F
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KCF data
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ATOM 24
1 C8y C 25.9744 -17.4978
2 C8y C 23.6511 -17.4978
3 C8y C 25.9686 -18.8861
4 C5a C 27.0782 -16.7834
5 C8y C 23.6394 -18.8803
6 C8x C 22.3846 -16.7948
7 O2x O 24.7778 -19.5891
8 C1b C 27.1769 -19.5832
9 C8y C 28.2284 -17.4281
10 O5a O 27.0958 -15.6156
11 C8x C 22.3672 -19.5658
12 C8x C 21.1121 -17.4803
13 C1b C 27.1769 -20.9715
14 C8x C 28.2403 -18.7410
15 C8x C 29.3552 -16.7599
16 C8x C 21.1704 -18.8628
17 C8y C 29.3901 -19.3857
18 C8y C 30.5754 -17.3991
19 C8y C 30.5987 -18.7120
20 O1a O 31.7253 -19.3857
21 C1b C 28.3936 -21.6740
22 C1a C 28.3934 -23.0602
23 X I 31.7590 -16.6682
24 X I 29.4066 -20.8097
BOND 26
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 8 13 1
13 9 14 2
14 9 15 1
15 11 16 2
16 14 17 1
17 15 18 2
18 17 19 2
19 19 20 1
20 5 7 1
21 12 16 1
22 18 19 1
23 13 21 1
24 21 22 1
25 18 23 1
26 17 24 1
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