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2033-81-0 | Benzene, 1-(4-bromobutoxy)-4-chloro-
CAS No: 2033-81-0 Catalog No: AG0028ST MDL No:MFCD02030563
Product Description
Catalog Number:
AG0028ST
Chemical Name:
Benzene, 1-(4-bromobutoxy)-4-chloro-
CAS Number:
2033-81-0
Molecular Formula:
C10H12BrClO
Molecular Weight:
263.5587
MDL Number:
MFCD02030563
IUPAC Name:
1-(4-bromobutoxy)-4-chlorobenzene
InChI:
InChI=1S/C10H12BrClO/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChI Key:
DPTVPYBSBNIACI-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.559g/mol
Monoisotopic Mass:
261.976g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| 1-[(Z)-8-(4-Chlorophenoxy)-3-(2,4-di-fluorophenyl)-4-oxaocta-2-en-2-yl]-1H-1,2,4-triazol-4-ium nitrate. | Acta crystallographica. Section E, Structure reports online 20111001 |
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