Home Halogens Heptane, 3-(bromomethyl)-

Heptane, 3-(bromomethyl)-

CAS No.:
18908-66-2
Catalog Number:
AG002HU6
Molecular Formula:
C8H17Br
Molecular Weight:
193.1246
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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
Properties