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138744-73-7 | Benzene, 1-[(2-bromo-3-methoxy-2-buten-1-yl)oxy]-4-methoxy-
CAS No: 138744-73-7 Catalog No: AG0019FV MDL No:
Product Description
Catalog Number:
AG0019FV
Chemical Name:
Benzene, 1-[(2-bromo-3-methoxy-2-buten-1-yl)oxy]-4-methoxy-
CAS Number:
138744-73-7
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
1-(2-bromo-3-methoxybut-2-enoxy)-4-methoxybenzene
InChI:
InChI=1S/C12H15BrO3/c1-9(14-2)12(13)8-16-11-6-4-10(15-3)5-7-11/h4-7H,8H2,1-3H3
InChI Key:
ANJLFQPBXHTLFK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCC(=C(OC)C)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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