Home Halogens 4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-amine hydrochloride

4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-amine hydrochloride

CAS No.:
1803609-61-1
Catalog Number:
AG01ALZI
Molecular Formula:
C12H16BrClFNO
Molecular Weight:
324.6169
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Product Description
Catalog Number:
AG01ALZI
Chemical Name:
4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-amine hydrochloride
CAS Number:
1803609-61-1
Molecular Formula:
C12H16BrClFNO
Molecular Weight:
324.6169
MDL Number:
MFCD28968310
IUPAC Name:
4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H15BrFNO.ClH/c13-11-7-10(14)2-1-9(11)8-12(15)3-5-16-6-4-12;/h1-2,7H,3-6,8,15H2;1H
InChI Key:
ODVFOLRYMMRPHL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)CC1(N)CCOCC1.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.618g/mol
Monoisotopic Mass:
323.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties