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6570-93-0 | 2-Bromo-5-methylhexane
CAS No: 6570-93-0 Catalog No: AG003GQ5 MDL No:MFCD07780428
Product Description
Catalog Number:
AG003GQ5
Chemical Name:
2-Bromo-5-methylhexane
CAS Number:
6570-93-0
Molecular Formula:
C7H15Br
Molecular Weight:
179.0980
MDL Number:
MFCD07780428
IUPAC Name:
2-bromo-5-methylhexane
InChI:
InChI=1S/C7H15Br/c1-6(2)4-5-7(3)8/h6-7H,4-5H2,1-3H3
InChI Key:
FLXWXUODAGCSPP-UHFFFAOYSA-N
SMILES:
CC(CCC(Br)C)C
Properties
Complexity:
50.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.101g/mol
Monoisotopic Mass:
178.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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