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1-(Bromomethyl)-4-(tert-butyl)cyclohexane

1-(Bromomethyl)-4-(tert-butyl)cyclohexane - CAS 92368-33-7

Catalog:	BB040500
Product Name:	1-(Bromomethyl)-4-(tert-butyl)cyclohexane
CAS:	92368-33-7
Synonyms:	1-(bromomethyl)-4-tert-butylcyclohexane; 1-(bromomethyl)-4-tert-butylcyclohexane

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-4-tert-butylcyclohexane
Description:	1-(Bromomethyl)-4-(tert-butyl)cyclohexane (CAS# 92368-33-7) is a useful research chemical.
Molecular Weight:	233.19
Molecular Formula:	C11H21Br
Canonical SMILES:	CC(C)(C)C1CCC(CC1)CBr
InChI:	InChI=1S/C11H21Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10H,4-8H2,1-3H3
InChI Key:	OXGDKDFWZLJUSQ-UHFFFAOYSA-N
Boiling Point:	236.7±8.0 °C (760 mmHg)
Density:	1.126±0.06 g/cm³ (20 °C. 760 mmH g)
MDL:	MFCD11847599
LogP:	4.23380

Publication Number	Title	Priority Date
EP-1391450-A1	N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide	20010509
JP-2003342261-A	N-heterocyclic methyl-alkylamine derivative, method for producing the same, and fungicide	20000509
JP-WO2001085684-A1	N-heterocyclic methyl-alkylamine derivative, production method thereof, and fungicide	20000509
US-2005101783-A1	N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide	20000509
WO-0185684-A1	N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide	20000509

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.08266
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.08266
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8