COMPOUND: C11034
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Entry
C11034 Compound
Name
MK-129;
2-[p-(p-Chlorobenzyloxy)phenyl]-4,5,6,7-tetrahydroisoindoline-1,3-dione
Formula
C21H18ClNO3
Exact mass
367.0975
Mol weight
367.8255
Structure
Mol file
KCF file
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Other DBs
CAS:
39986-11-3
PubChem:
13217
ChEBI:
6620
NIKKAJI:
J26.824K
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KCF data
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ATOM 26
1 C1x C 19.7675 -18.8494
2 C1x C 19.7675 -20.2493
3 C1x C 20.9837 -20.9525
4 C1x C 20.9837 -18.1530
5 C2y C 22.1927 -18.8494
6 C2y C 22.1868 -20.2526
7 C5x C 23.5200 -20.6966
8 N1y N 24.3450 -19.5635
9 C5x C 23.5293 -18.4235
10 O5x O 23.9651 -17.0937
11 O5x O 23.9449 -22.0301
12 C8y C 25.7448 -19.4993
13 C8x C 26.4368 -20.7159
14 C8x C 27.8366 -20.7218
15 C8y C 28.5379 -19.5114
16 C8x C 27.8466 -18.2954
17 C8x C 26.4468 -18.2897
18 O2a O 29.9377 -19.5173
19 C1b C 30.6461 -18.3071
20 C8y C 32.0459 -18.3128
21 C8x C 32.7310 -19.5266
22 C8x C 34.1308 -19.5323
23 C8y C 34.8392 -18.3221
24 C8x C 34.1408 -17.1059
25 C8x C 32.7410 -17.1002
26 X Cl 36.2390 -18.3278
BOND 29
1 2 3 1
2 3 6 1
3 5 4 1
4 5 6 2
5 6 7 1
6 12 13 2
7 13 14 1
8 14 15 2
9 15 16 1
10 16 17 2
11 17 12 1
12 7 8 1
13 15 18 1
14 8 9 1
15 18 19 1
16 9 5 1
17 19 20 1
18 4 1 1
19 9 10 2
20 7 11 2
21 1 2 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 20 1
28 8 12 1
29 23 26 1
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