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18908-66-2 | Heptane, 3-(bromomethyl)-
CAS No: 18908-66-2 Catalog No: AG002HU6 MDL No:MFCD00000220
Product Description
Catalog Number:
AG002HU6
Chemical Name:
Heptane, 3-(bromomethyl)-
CAS Number:
18908-66-2
Molecular Formula:
C8H17Br
Molecular Weight:
193.1246
MDL Number:
MFCD00000220
IUPAC Name:
3-(bromomethyl)heptane
InChI:
InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChI Key:
NZWIYPLSXWYKLH-UHFFFAOYSA-N
SMILES:
CCCCC(CBr)CC
EC Number:
242-659-9
Properties
Complexity:
52.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.128g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Rapid synthesis of flavor compound 4-ethyloctanoic acid under microwave irradiation. | International journal of molecular sciences 20100101 |
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