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13187-99-0 | Dodecane, 2-bromo-
CAS No: 13187-99-0 Catalog No: AG000ZV2 MDL No:
Product Description
Catalog Number:
AG000ZV2
Chemical Name:
Dodecane, 2-bromo-
CAS Number:
13187-99-0
Molecular Formula:
C12H25Br
Molecular Weight:
249.2309
IUPAC Name:
2-bromododecane
InChI:
InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChI Key:
GIUUCQVKMWBSRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(Br)C
EC Number:
236-142-7
NSC Number:
97571
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.236g/mol
Monoisotopic Mass:
248.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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