COMPOUND: C14206
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Entry
C14206 Compound
Name
M1;
2-(((3,5-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid
Formula
C12H11Cl2NO4
Exact mass
303.0065
Mol weight
304.126
Structure
Mol file
KCF file
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Other DBs
CAS:
119209-27-7
PubChem:
7847016
ChEBI:
34826
NIKKAJI:
J592.613K
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KCF data
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ATOM 19
1 C8x C 25.6854 -19.6445
2 C8x C 26.8242 -17.6267
3 C8x C 24.5073 -17.6494
4 C8y C 26.8373 -18.9644
5 C8y C 24.5204 -18.9870
6 C8y C 25.6593 -16.9692
7 N1b N 28.0022 -19.6218
8 X Cl 23.3685 -19.6671
9 X Cl 25.7162 -15.6316
10 C7a C 29.1725 -18.9311
11 O7a O 30.3215 -19.5800
12 O6a O 29.1596 -17.5941
13 C1d C 31.5100 -18.8788
14 C2b C 32.7303 -19.5681
15 C2a C 33.9434 -18.8520
16 C6a C 31.4968 -17.5000
17 O6a O 30.2802 -16.8130
18 O6a O 32.7049 -16.7871
19 C1a C 31.5100 -20.2788
BOND 19
1 1 4 2
2 1 5 1
3 2 4 1
4 2 6 2
5 3 5 2
6 3 6 1
7 4 7 1
8 5 8 1
9 6 9 1
10 7 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 13 14 1
15 14 15 2
16 13 16 1
17 16 17 2
18 16 18 1
19 13 19 1
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