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758-75-8 | Pentane, 1-bromo-3-(2-bromoethyl)-4,4-dimethyl-
CAS No: 758-75-8 Catalog No: AG005HYM MDL No:
Product Description
Catalog Number:
AG005HYM
Chemical Name:
Pentane, 1-bromo-3-(2-bromoethyl)-4,4-dimethyl-
CAS Number:
758-75-8
Molecular Formula:
C9H18Br2
Molecular Weight:
286.0472
IUPAC Name:
1-bromo-3-(2-bromoethyl)-4,4-dimethylpentane
InChI:
InChI=1S/C9H18Br2/c1-9(2,3)8(4-6-10)5-7-11/h8H,4-7H2,1-3H3
InChI Key:
PVAPSWVCWOOMNG-UHFFFAOYSA-N
SMILES:
BrCCC(C(C)(C)C)CCBr
Properties
Complexity:
88.2
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:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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