82S

(1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane

Created:	2016-12-20
Last modified:	2019-12-11

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1 entries where 82S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	3
Bond Count	29
Aromatic Bond Count	0

2D diagram of 82S

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Chemical Component Summary
Name	(1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{R},4~{R})-2-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptane
Formula	C₁₀ H₁₇ Br
Molecular Weight	217.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C2(CCC(C1)C2(C)C)C)Br
SMILES	CACTVS	3.385	CC1(C)[CH]2CC[C]1(C)[CH](Br)C2
SMILES	OpenEye OEToolkits	2.0.6	CC1(C2CCC1(C(C2)Br)C)C
Canonical SMILES	CACTVS	3.385	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Br)C2
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br
InChI	InChI	1.03	InChI=1S/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKey	InChI	1.03	OTOQMOVZIUGCQE-MRTMQBJTSA-N

Related Resource References

Resource Name	Reference
PubChem	12504266

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