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Home > Bromides > 1864003-35-9
1864003-35-9 | rac-(1R,2R,4S)-2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane
CAS No: 1864003-35-9 Catalog No: AG00J2VL MDL No:MFCD28897217
Product Description
Catalog Number:
AG00J2VL
Chemical Name:
rac-(1R,2R,4S)-2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane
CAS Number:
1864003-35-9
Molecular Formula:
C7H11BrO
Molecular Weight:
191.0656
MDL Number:
MFCD28897217
IUPAC Name:
(1R,2R,4S)-2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChI Key:
UHZMGDQVYYPBQQ-LYFYHCNISA-N
SMILES:
BrC[C@@H]1C[C@H]2O[C@@H]1CC2
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
189.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.068g/mol
Monoisotopic Mass:
189.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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