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951891-96-6 | 2-Bromo-3-(2,6-dimethylphenyl)-1-propene
CAS No: 951891-96-6 Catalog No: AG01EZZI MDL No:
Product Description
Catalog Number:
AG01EZZI
Chemical Name:
2-Bromo-3-(2,6-dimethylphenyl)-1-propene
CAS Number:
951891-96-6
Molecular Formula:
C11H13Br
Molecular Weight:
225.1249
IUPAC Name:
2-(2-bromoprop-2-enyl)-1,3-dimethylbenzene
InChI:
InChI=1S/C11H13Br/c1-8-5-4-6-9(2)11(8)7-10(3)12/h4-6H,3,7H2,1-2H3
InChI Key:
CPKPIXXWBNLEIN-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1c(C)cccc1C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.129g/mol
Monoisotopic Mass:
224.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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