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951891-57-9 | 2-Bromo-3-(2,3-dimethylyphenyl)-1-propene
CAS No: 951891-57-9 Catalog No: AG01EZYG MDL No:
Product Description
Catalog Number:
AG01EZYG
Chemical Name:
2-Bromo-3-(2,3-dimethylyphenyl)-1-propene
CAS Number:
951891-57-9
Molecular Formula:
C11H13Br
Molecular Weight:
225.1249
IUPAC Name:
1-(2-bromoprop-2-enyl)-2,3-dimethylbenzene
InChI:
InChI=1S/C11H13Br/c1-8-5-4-6-11(10(8)3)7-9(2)12/h4-6H,2,7H2,1,3H3
InChI Key:
CNKXUEXAMAKFEU-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=C)Br)cccc1C
Properties
Complexity:
162
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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