Home Halogens 5-chloro-4-methyl-2-(pyrrolidin-3-yl)phenol hydrobromide

5-chloro-4-methyl-2-(pyrrolidin-3-yl)phenol hydrobromide

CAS No.:
1955531-91-5
Catalog Number:
AG01B559
Molecular Formula:
C11H15BrClNO
Molecular Weight:
292.5999
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Product Description
Catalog Number:
AG01B559
Chemical Name:
5-chloro-4-methyl-2-(pyrrolidin-3-yl)phenol hydrobromide
CAS Number:
1955531-91-5
Molecular Formula:
C11H15BrClNO
Molecular Weight:
292.5999
MDL Number:
MFCD29991922
IUPAC Name:
5-chloro-4-methyl-2-pyrrolidin-3-ylphenol;hydrobromide
InChI:
InChI=1S/C11H14ClNO.BrH/c1-7-4-9(8-2-3-13-6-8)11(14)5-10(7)12;/h4-5,8,13-14H,2-3,6H2,1H3;1H
InChI Key:
LYSWXQWTKTVQSL-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(cc1C1CNCC1)C.Br
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.003g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
292.601g/mol
Monoisotopic Mass:
291.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties