COMPOUND: C14302
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Entry
C14302 Compound
Name
Dinoseb;
2,4-Dinitro-6-(1-methylpropyl)phenol
Formula
C10H12N2O5
Exact mass
240.0746
Mol weight
240.2127
Structure
Mol file
KCF file
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Brite
Pesticides [BR:
br08007
]
Obsolete pesticides
Herbicides
Nitrophenol herbicides
C14302 Dinoseb
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Other DBs
CAS:
88-85-7
PubChem:
17395302
ChEBI:
34719
NIKKAJI:
J3.909H
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KCF data
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ATOM 17
1 C8x C 27.1704 -17.6490
2 C8x C 28.3610 -19.7501
3 C8y C 28.3610 -16.9487
4 C8y C 27.1704 -19.0497
5 C8y C 29.5516 -19.0497
6 C8y C 29.5516 -17.6490
7 C1c C 28.3610 -15.5480
8 N2b N 25.9098 -19.7501 #+
9 N2b N 30.8122 -19.7501 #+
10 O3a O 25.9098 -21.1507
11 O3a O 30.8122 -21.1507
12 O3a O 24.7192 -19.0497 #-
13 O3a O 32.2828 -19.0497 #-
14 O1a O 30.8122 -16.9487
15 C1a C 29.5740 -14.8477
16 C1b C 27.1480 -14.8477
17 C1a C 25.9519 -15.5384
BOND 17
1 1 3 2
2 1 4 1
3 2 4 2
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 5 6 2
9 5 9 1
10 6 14 1
11 8 10 2
12 8 12 1
13 9 11 2
14 9 13 1
15 7 15 1
16 7 16 1
17 16 17 1
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