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89074-70-4 | Heptane, 1-bromo-2-(bromomethyl)-
CAS No: 89074-70-4 Catalog No: AG0040Y6 MDL No:
Product Description
Catalog Number:
AG0040Y6
Chemical Name:
Heptane, 1-bromo-2-(bromomethyl)-
CAS Number:
89074-70-4
Molecular Formula:
C8H16Br2
Molecular Weight:
272.0206
IUPAC Name:
1-bromo-2-(bromomethyl)heptane
InChI:
InChI=1S/C8H16Br2/c1-2-3-4-5-8(6-9)7-10/h8H,2-7H2,1H3
InChI Key:
IOMIDMREHPTNKF-UHFFFAOYSA-N
SMILES:
CCCCCC(CBr)CBr
Properties
Complexity:
60.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.024g/mol
Monoisotopic Mass:
269.962g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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