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2033-76-3 | Benzene, 1-(2-bromoethoxy)-4-chloro-
CAS No: 2033-76-3 Catalog No: AG0028SV MDL No:MFCD00000617
Product Description
Catalog Number:
AG0028SV
Chemical Name:
Benzene, 1-(2-bromoethoxy)-4-chloro-
CAS Number:
2033-76-3
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
MDL Number:
MFCD00000617
IUPAC Name:
1-(2-bromoethoxy)-4-chlorobenzene
InChI:
InChI=1S/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChI Key:
YYFLBDSMQRWARK-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)Cl
EC Number:
217-994-9
NSC Number:
404198
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.505g/mol
Monoisotopic Mass:
233.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 1-(3-Bromopropoxy)-4-chlorobenzene. | Acta crystallographica. Section E, Structure reports online 20081201 |
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