COMPOUND: C15394
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Entry
C15394 Compound
Name
2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide;
6-(2,2,2-Trifluoroacetamide)-3,4-benzocoumarin
Formula
C15H8F3NO3
Exact mass
307.0456
Mol weight
307.2241
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396391
ChEBI:
79895
NIKKAJI:
J2.794.336E
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KCF data
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ATOM 22
1 C8x C 10.9200 -22.2600
2 C8x C 10.9200 -23.6600
3 C8x C 12.1100 -24.3600
4 C8y C 13.3000 -23.6600
5 C8y C 13.3000 -22.2600
6 C8x C 12.1100 -21.5600
7 C8y C 14.4900 -24.3600
8 O7x O 15.7500 -23.6600
9 C8y C 15.7500 -22.2600
10 C8y C 14.4900 -21.5600
11 C8x C 16.9400 -21.5600
12 C8x C 16.9400 -20.1600
13 C8y C 15.7500 -19.4600
14 C8x C 14.4900 -20.1600
15 O6a O 14.4900 -25.7600
16 N1b N 15.7500 -18.0600
17 C5a C 16.9400 -17.3600
18 C1d C 18.2000 -18.0600
19 O5a O 16.9400 -15.9600
20 X F 19.3900 -17.3600
21 X F 18.2000 -19.4600
22 X F 19.3900 -18.7600
BOND 24
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 7 15 2
18 13 16 1
19 16 17 1
20 17 18 1
21 17 19 2
22 18 20 1
23 18 21 1
24 18 22 1
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