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209806-89-3 | Pentanenitrile, 5-bromo-4-(methoxymethoxy)-, (4S)-
CAS No: 209806-89-3 Catalog No: AG002KER MDL No:
Product Description
Catalog Number:
AG002KER
Chemical Name:
Pentanenitrile, 5-bromo-4-(methoxymethoxy)-, (4S)-
CAS Number:
209806-89-3
Molecular Formula:
C7H12BrNO2
Molecular Weight:
222.0797
IUPAC Name:
(4S)-5-bromo-4-(methoxymethoxy)pentanenitrile
InChI:
InChI=1S/C7H12BrNO2/c1-10-6-11-7(5-8)3-2-4-9/h7H,2-3,5-6H2,1H3/t7-/m0/s1
InChI Key:
WTJDLSWMGLMXFB-ZETCQYMHSA-N
SMILES:
COCO[C@@H](CCC#N)CBr
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.082g/mol
Monoisotopic Mass:
221.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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