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1974-04-5 | Heptane, 2-bromo-
CAS No: 1974-04-5 Catalog No: AG002ATF MDL No:
Product Description
Catalog Number:
AG002ATF
Chemical Name:
Heptane, 2-bromo-
CAS Number:
1974-04-5
Molecular Formula:
C7H15Br
Molecular Weight:
179.0980
IUPAC Name:
2-bromoheptane
InChI:
InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
InChI Key:
HLAUCEOFCOXKNF-UHFFFAOYSA-N
SMILES:
CCCCCC(Br)C
EC Number:
217-824-3
NSC Number:
11768
Properties
Complexity:
43.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.101g/mol
Monoisotopic Mass:
178.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. | Journal of the American Chemical Society 20120411 |
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