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151282-95-0 | Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 2-bromo-, (1S,2S,4S)-
CAS No: 151282-95-0 Catalog No: AG001N8O MDL No:
Product Description
Catalog Number:
AG001N8O
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 2-bromo-, (1S,2S,4S)-
CAS Number:
151282-95-0
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
IUPAC Name:
(1S,2S,4S)-2-bromobicyclo[2.2.1]hept-5-ene-2-carbaldehyde
InChI:
InChI=1S/C8H9BrO/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,5-7H,3-4H2/t6-,7+,8+/m0/s1
InChI Key:
DMVCPBXKNPGZRL-XLPZGREQSA-N
SMILES:
Br[C@]1(C[C@@H]2C[C@H]1C=C2)C=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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