COMPOUND: C16860
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Entry
C16860 Compound
Name
2,5,6-Tribromo-1-methylgramine
Formula
C12H13Br3N2
Exact mass
421.8629
Mol weight
424.957
Structure
Mol file
KCF file
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Other DBs
CAS:
64945-29-5
PubChem:
96023381
ChEBI:
80773
NIKKAJI:
J62.667H
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KCF data
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ATOM 17
1 C8y C 25.1300 -12.9500
2 C8y C 25.1300 -14.3500
3 C8x C 26.3424 -15.0500
4 C8y C 27.5549 -14.3500
5 C8y C 27.5549 -12.9500
6 C8x C 26.3424 -12.2500
7 N4y N 28.8864 -14.7826
8 C8y C 29.7093 -13.6500
9 C8y C 28.8864 -12.5174
10 X Br 23.9176 -12.2500
11 X Br 23.9176 -15.0500
12 C1b C 29.3176 -11.1906
13 X Br 31.0800 -13.6500
14 C1a C 29.3176 -16.1094
15 N1c N 30.6969 -10.8975
16 C1a C 31.6595 -11.9669
17 C1a C 31.1264 -9.5773
BOND 18
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 1 10 1
12 2 11 1
13 9 12 1
14 8 13 1
15 7 14 1
16 12 15 1
17 15 16 1
18 15 17 1
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