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80443-63-6,MFCD01938345
Catalog No.:AA003HUT
80443-63-6 | 2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
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Technical Information
Catalog Number:
AA003HUT
Chemical Name:
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
CAS Number:
80443-63-6
Molecular Formula:
C14H19ClO
Molecular Weight:
238.7531
MDL Number:
MFCD01938345
IUPAC Name:
2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane
InChI:
InChI=1S/C14H19ClO/c1-13(2,3)14(10-16-14)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3
InChI Key:
QLCGXXYDHCTVKP-UHFFFAOYSA-N
SMILES:
CC(C1(CCc2ccc(cc2)Cl)OC1)(C)C
EC Number:
617-070-9
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.755g/mol
Monoisotopic Mass:
238.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
80443-63-6 
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane 
2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane 
ACMC-209pjg 
AC1Q3NSK 
AC1L3SP6 
2-tert-butyl-2-[2-(4-chlorphenyl)ethyl]oxiran 
DSSTox_CID_22247 
DSSTox_RID_79971 
DSSTox_GSID_42247 
SCHEMBL454620 
CHEMBL3184534 
2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane 
DTXSID5042247 
CTK3J8275 
QLCGXXYDHCTVKP-UHFFFAOYSA-N 
Tox21_301539 
AC-254 
ANW-37370 
MFCD01938345 
AKOS015850345 
API0004903 
RL05099 
2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane 
RTR-025444 
NCGC00255826-01 
AN-16041 
BC220921 
SC-62547 
CAS-80443-63-6 
LS-100603 
TL8005412 
TR-025444 
2-(4-chlorophenylethyl)-2-tert-butyloxirane 
2-[2-(4-Chlorophenyl) ethyl]-2-(1,1-dimethyl) Oxirane 
FT-0654961 
2-(4-chlorophenylethyl)-2-tert.-butyloxirane 
2-(4-chlorophenyl ethyl)-2-tert.-butyloxirane 
2-(4-chlorophenylethyl)-2-tert.-butyl-oxirane 
2-(4-chloro-phenylethyl)-2-tert.-butyl-oxirane 
2-(4-chlorophenyl-ethyl)-2-tert.-butyl-oxirane 
2-tert-butyl-4-(4-chlorophenyl)-1,2-epoxybutane 
2-tert.-butyl-2-(4-chloro-phenyl-ethyl)-oxirane 
C-24278 
I14-6328 
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethyl)-oxirane 
J-505418 
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)- 
2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethyl-ethyl)-oxirane 
UNII-XUC5FVS02C 
XUC5FVS02C 
C14H19ClO 
C14-H19-Cl-O 
2-[2- ethyl]-2- -oxirane 
CID94684 
AR-1E5468 
Oxirane, 2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)- 
B3290 
2-[2-(4-Chlorophenyl) ethyl-2-(1,1-dimethyl)]Oxirane 
84812-30-6 
2-tert-Butyl-2-(4-chlorophenethyl)oxirane 
2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)-oxirane 
Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)- 
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