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173336-70-4 | Benzene, 4-bromo-1-methoxy-2-(4-methoxybutyl)-
CAS No: 173336-70-4 Catalog No: AG001YT6 MDL No:
Product Description
Catalog Number:
AG001YT6
Chemical Name:
Benzene, 4-bromo-1-methoxy-2-(4-methoxybutyl)-
CAS Number:
173336-70-4
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
IUPAC Name:
4-bromo-1-methoxy-2-(4-methoxybutyl)benzene
InChI:
InChI=1S/C12H17BrO2/c1-14-8-4-3-5-10-9-11(13)6-7-12(10)15-2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
URPDUGAICVWBSF-UHFFFAOYSA-N
SMILES:
COCCCCc1cc(Br)ccc1OC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.17g/mol
Monoisotopic Mass:
272.041g/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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