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1974-05-6 | Heptane, 3-bromo-
CAS No: 1974-05-6 Catalog No: AG002ATE MDL No:MFCD00039184
Product Description
Catalog Number:
AG002ATE
Chemical Name:
Heptane, 3-bromo-
CAS Number:
1974-05-6
Molecular Formula:
C7H15Br
Molecular Weight:
179.0980
MDL Number:
MFCD00039184
IUPAC Name:
3-bromoheptane
InChI:
InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3
InChI Key:
MLHXKYLLJRLHGH-UHFFFAOYSA-N
SMILES:
CCCCC(CC)Br
EC Number:
217-825-9
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:
3.7
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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