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1781-53-9 | Octane, 1-bromo-2-(bromomethyl)-
CAS No: 1781-53-9 Catalog No: AG0025RD MDL No:
Product Description
Catalog Number:
AG0025RD
Chemical Name:
Octane, 1-bromo-2-(bromomethyl)-
CAS Number:
1781-53-9
Molecular Formula:
C9H18Br2
Molecular Weight:
286.0472
IUPAC Name:
1-bromo-2-(bromomethyl)octane
InChI:
InChI=1S/C9H18Br2/c1-2-3-4-5-6-9(7-10)8-11/h9H,2-8H2,1H3
InChI Key:
RZHYNPGFNREBPN-UHFFFAOYSA-N
SMILES:
CCCCCCC(CBr)CBr
Properties
Complexity:
70
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.051g/mol
Monoisotopic Mass:
283.978g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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