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588-93-2 | 1-Bromo-4-propylbenzene
CAS No: 588-93-2 Catalog No: AG0032PY MDL No:MFCD00012456
Product Description
Catalog Number:
AG0032PY
Chemical Name:
1-Bromo-4-propylbenzene
CAS Number:
588-93-2
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD00012456
IUPAC Name:
1-bromo-4-propylbenzene
InChI:
InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChI Key:
NUPWGLKBGVNSJX-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)Br
EC Number:
454-790-0
NSC Number:
97222
Properties
Complexity:
82.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Studies of the functionalisation of organic-inorganic hybrid materials by using the Heck reaction. | Chemical communications (Cambridge, England) 20030521 |
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