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626-88-0

626-88-0 | 1-Bromo-4-methylpentane

CAS No: 626-88-0 Catalog No: AG003E52 MDL No:MFCD00013544

Product Description

Catalog Number:
AG003E52
Chemical Name:
1-Bromo-4-methylpentane
CAS Number:
626-88-0
Molecular Formula:
C6H13Br
Molecular Weight:
165.0714
MDL Number:
MFCD00013544
IUPAC Name:
1-bromo-4-methylpentane
InChI:
InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
InChI Key:
XZKFBZOAIGFZSU-UHFFFAOYSA-N
SMILES:
BrCCCC(C)C
EC Number:
210-968-8
NSC Number:
159166

Properties

Complexity:
33.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.074g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
First total synthesis and antileishmanial activity of (Z)-16-methyl-11-heptadecenoic acid, a new marine fatty acid from the sponge Dragmaxia undata. Chemistry and physics of lipids 20110201

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