COMPOUND: C01285
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Entry
C01285 Compound
Name
2,6-Dichlorophenol-4-(2,3-dihydro-1,4-naphthoquinone imine);
4-(3,5-Dichloro-4-hydroxyphenylimino)tetralin-1-one
Formula
C16H11Cl2NO2
Exact mass
319.0167
Mol weight
320.17
Structure
Mol file
KCF file
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Other DBs
PubChem:
4504
ChEBI:
134676
NIKKAJI:
J2.732.102J
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KCF data
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ATOM 21
1 C8y C 35.4114 -26.7471
2 C2y C 36.6247 -26.0318
3 C8y C 35.4114 -28.1456
4 C8x C 34.1915 -26.0509
5 N2b N 36.6184 -24.6394
6 C1x C 37.8509 -26.7343
7 C5x C 36.6375 -28.8545
8 C8x C 34.1915 -28.8608
9 C8x C 32.9910 -26.7471
10 C8y C 36.6247 -23.2537
11 C1x C 37.8637 -28.1520
12 O5x O 36.6312 -30.2404
13 C8x C 32.9910 -28.1456
14 C8x C 35.4177 -22.5448
15 C8x C 37.8382 -22.5448
16 C8y C 35.4177 -21.1398
17 C8y C 37.8382 -21.1398
18 C8y C 36.6247 -20.4501
19 X Cl 34.2170 -20.4501
20 X Cl 39.0389 -20.4436
21 O1a O 36.6184 -19.0577
BOND 23
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 2
9 5 10 1
10 6 11 1
11 7 12 2
12 8 13 2
13 10 14 2
14 10 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 16 19 1
19 17 20 1
20 18 21 1
21 7 11 1
22 9 13 1
23 17 18 1
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