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951894-96-5 | 2-Bromo-4-(5-bromo-2-methoxyphenyl)-1-butene
CAS No: 951894-96-5 Catalog No: AG01F04Z MDL No:
Product Description
Catalog Number:
AG01F04Z
Chemical Name:
2-Bromo-4-(5-bromo-2-methoxyphenyl)-1-butene
CAS Number:
951894-96-5
Molecular Formula:
C11H12Br2O
Molecular Weight:
320.0204
IUPAC Name:
4-bromo-2-(3-bromobut-3-enyl)-1-methoxybenzene
InChI:
InChI=1S/C11H12Br2O/c1-8(12)3-4-9-7-10(13)5-6-11(9)14-2/h5-7H,1,3-4H2,2H3
InChI Key:
XYPYRKUATWICEU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCC(=C)Br)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.923g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.024g/mol
Monoisotopic Mass:
317.925g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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