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3377-87-5

3377-87-5 | 3-Bromohexane

CAS No: 3377-87-5 Catalog No: AG003J4E MDL No:MFCD00039181

Product Description

Catalog Number:
AG003J4E
Chemical Name:
3-Bromohexane
CAS Number:
3377-87-5
Molecular Formula:
C6H13Br
Molecular Weight:
165.0714
MDL Number:
MFCD00039181
IUPAC Name:
3-bromohexane
InChI:
InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChI Key:
IOZOJWNUKLCDML-UHFFFAOYSA-N
SMILES:
CCCC(CC)Br
EC Number:
222-174-9

Properties

Complexity:
35.2  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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