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3945-85-5 | Benzene, 4-(3-bromopropyl)-1,2-dimethoxy-
CAS No: 3945-85-5 Catalog No: AG01FBQF MDL No:
Product Description
Catalog Number:
AG01FBQF
Chemical Name:
Benzene, 4-(3-bromopropyl)-1,2-dimethoxy-
CAS Number:
3945-85-5
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
IUPAC Name:
4-(3-bromopropyl)-1,2-dimethoxybenzene
InChI:
InChI=1S/C11H15BrO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
COWGZRGEFNSWNK-UHFFFAOYSA-N
SMILES:
BrCCCc1ccc(c(c1)OC)OC
Properties
Complexity:
152
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:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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