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10160-24-4 | 1-Heptanol, 7-bromo-
CAS No: 10160-24-4 Catalog No: AG0004XV MDL No:MFCD00041708
Product Description
Catalog Number:
AG0004XV
Chemical Name:
1-Heptanol, 7-bromo-
CAS Number:
10160-24-4
Molecular Formula:
C7H15BrO
Molecular Weight:
195.0974
MDL Number:
MFCD00041708
IUPAC Name:
7-bromoheptan-1-ol
InChI:
InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChI Key:
MMXRRNUXCHUHOE-UHFFFAOYSA-N
SMILES:
OCCCCCCCBr
Properties
Complexity:
48.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.1g/mol
Monoisotopic Mass:
194.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Sequential substitution of 1,2-dichloro-ethene: a convenient stereoselective route to (9Z,11E)-, (10E,12Z)- and (10Z,12Z)-. | Chemistry and physics of lipids 20010301 |
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