COMPOUND: C11091
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Entry
C11091 Compound
Name
Hexachloro-1,3-butadiene;
HCBD;
Hexachlorobutadiene
Formula
C4Cl6
Exact mass
257.8131
Mol weight
260.7608
Structure
Mol file
KCF file
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CAS:
87-68-3
PubChem:
13273
ChEBI:
5691
NIKKAJI:
J3.541F
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KCF data
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ATOM 10
1 X Cl 25.2985 -16.2799
2 C2c C 26.5117 -16.9782
3 C2c C 27.7247 -16.2869
4 C2c C 28.9308 -16.9851
5 C2c C 30.1440 -16.2940
6 X Cl 31.3572 -16.9922
7 X Cl 26.5086 -18.3817
8 X Cl 27.7278 -14.8834
9 X Cl 28.9278 -18.3888
10 X Cl 30.1471 -14.8903
BOND 9
1 2 3 2
2 5 6 1
3 1 2 1
4 2 7 1
5 3 4 1
6 3 8 1
7 4 9 1
8 4 5 2
9 5 10 1
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