COMPOUND: C10969
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Entry
C10969 Compound
Name
SC-1271;
1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid
Formula
C18H15ClN2O4
Exact mass
358.072
Mol weight
358.7757
Structure
Mol file
KCF file
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Other DBs
PubChem:
13152
ChEBI:
8981
NIKKAJI:
J503.646A
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KCF data
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ATOM 25
1 C8x C 22.4819 -15.0441
2 C8x C 22.4819 -16.4440
3 C8x C 23.6983 -17.1405
4 C8y C 23.6983 -14.3476
5 C8y C 24.9075 -15.0441
6 C8y C 24.8945 -16.4440
7 N4y N 26.1119 -17.1457
8 N5x N 27.3212 -16.4614
9 C8y C 27.3273 -15.0544
10 C8y C 26.1168 -14.3527
11 C8y C 26.1060 -18.5527
12 C8x C 24.8869 -19.2475
13 C8x C 24.9510 -20.6474
14 C8y C 26.0915 -21.3560
15 C8x C 27.3078 -20.6508
16 C8x C 27.3208 -19.2578
17 C6a C 28.5505 -14.3561
18 O6a O 29.7468 -15.0716
19 O2a O 23.7630 -12.9405
20 O5x O 26.1298 -12.9457
21 O6a O 28.5495 -12.9631
22 X Cl 26.0854 -22.7490
23 C1b C 22.4875 -12.2425
24 C1b C 21.2733 -12.9445
25 C1a C 20.0538 -12.2394
BOND 27
1 2 3 1
2 3 6 2
3 5 4 2
4 4 1 1
5 11 12 2
6 12 13 1
7 13 14 2
8 14 15 1
9 15 16 2
10 16 11 1
11 5 6 1
12 9 17 1
13 6 7 1
14 17 18 1
15 7 8 1
16 4 19 1
17 8 9 2
18 10 20 2
19 9 10 1
20 17 21 2
21 10 5 1
22 14 22 1
23 19 23 1
24 7 11 1
25 23 24 1
26 1 2 2
27 24 25 1
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