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757235-53-3 | Bicyclo[2.2.1]heptane, 2-(2-bromo-2,2-difluoroethyl)-
CAS No: 757235-53-3 Catalog No: AG005IQW MDL No:
Product Description
Catalog Number:
AG005IQW
Chemical Name:
Bicyclo[2.2.1]heptane, 2-(2-bromo-2,2-difluoroethyl)-
CAS Number:
757235-53-3
Molecular Formula:
C9H13BrF2
Molecular Weight:
239.1003
IUPAC Name:
2-(2-bromo-2,2-difluoroethyl)bicyclo[2.2.1]heptane
InChI:
InChI=1S/C9H13BrF2/c10-9(11,12)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChI Key:
AMBSKMNAZYFIAL-UHFFFAOYSA-N
SMILES:
FC(CC1CC2CC1CC2)(Br)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.104g/mol
Monoisotopic Mass:
238.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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