Home Halogens 1-(3-bromo-4-fluorophenyl)propan-2-amine

1-(3-bromo-4-fluorophenyl)propan-2-amine

CAS No.:
910383-85-6
Catalog Number:
AG01A0J2
Molecular Formula:
C9H11BrFN
Molecular Weight:
232.0927
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Product Description
Catalog Number:
AG01A0J2
Chemical Name:
1-(3-bromo-4-fluorophenyl)propan-2-amine
CAS Number:
910383-85-6
Molecular Formula:
C9H11BrFN
Molecular Weight:
232.0927
MDL Number:
MFCD08452590
IUPAC Name:
1-(3-bromo-4-fluorophenyl)propan-2-amine
InChI:
InChI=1S/C9H11BrFN/c1-6(12)4-7-2-3-9(11)8(10)5-7/h2-3,5-6H,4,12H2,1H3
InChI Key:
NBKBPMSITKOWNL-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(c(c1)Br)F)N
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.096g/mol
Monoisotopic Mass:
231.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties