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101258-57-5 | Hexane, 1-bromo-2-methyl-
CAS No: 101258-57-5 Catalog No: AG000433 MDL No:MFCD02258479
Product Description
Catalog Number:
AG000433
Chemical Name:
Hexane, 1-bromo-2-methyl-
CAS Number:
101258-57-5
Molecular Formula:
C7H15Br
Molecular Weight:
179.0980
MDL Number:
MFCD02258479
IUPAC Name:
1-bromo-2-methylhexane
InChI:
InChI=1S/C7H15Br/c1-3-4-5-7(2)6-8/h7H,3-6H2,1-2H3
InChI Key:
CKHQKWRHPZIGTM-UHFFFAOYSA-N
SMILES:
CCCCC(CBr)C
Properties
Complexity:
43.7
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:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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