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90976-05-9

90976-05-9 | 1-bromo-4-tert-butyl-2-chlorocyclohexane

CAS No: 90976-05-9 Catalog No: AG006G5A MDL No:

Product Description

Catalog Number:
AG006G5A
Chemical Name:
1-bromo-4-tert-butyl-2-chlorocyclohexane
CAS Number:
90976-05-9
Molecular Formula:
C10H18BrCl
Molecular Weight:
253.6069
IUPAC Name:
1-bromo-4-tert-butyl-2-chlorocyclohexane
InChI:
InChI=1S/C10H18BrCl/c1-10(2,3)7-4-5-8(11)9(12)6-7/h7-9H,4-6H2,1-3H3
InChI Key:
GOJCFGSLYHILJJ-UHFFFAOYSA-N
SMILES:
BrC1CCC(CC1Cl)C(C)(C)C
NSC Number:
152341

Properties

Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.608g/mol
Monoisotopic Mass:
252.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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