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15898-91-6 | Hexane, 1-bromo-5,5-dimethyl-
CAS No: 15898-91-6 Catalog No: AG001R2K MDL No:MFCD02258462
Product Description
Catalog Number:
AG001R2K
Chemical Name:
Hexane, 1-bromo-5,5-dimethyl-
CAS Number:
15898-91-6
Molecular Formula:
C8H17Br
Molecular Weight:
193.1246
MDL Number:
MFCD02258462
IUPAC Name:
1-bromo-5,5-dimethylhexane
InChI:
InChI=1S/C8H17Br/c1-8(2,3)6-4-5-7-9/h4-7H2,1-3H3
InChI Key:
QVJRTJIUPXFNSL-UHFFFAOYSA-N
SMILES:
BrCCCCC(C)(C)C
Properties
Complexity:
61.5
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:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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