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2033-83-2 | Benzene, 1-(4-bromobutoxy)-4-methoxy-
CAS No: 2033-83-2 Catalog No: AG0028SR MDL No:
Product Description
Catalog Number:
AG0028SR
Chemical Name:
Benzene, 1-(4-bromobutoxy)-4-methoxy-
CAS Number:
2033-83-2
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
IUPAC Name:
1-(4-bromobutoxy)-4-methoxybenzene
InChI:
InChI=1S/C11H15BrO2/c1-13-10-4-6-11(7-5-10)14-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
InChI Key:
XNMUBVHIMDDDNF-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)OC
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.143g/mol
Monoisotopic Mass:
258.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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