Home Halogens 3-[(3-bromophenyl)methyl]azetidine, trifluoroacetic acid

3-[(3-bromophenyl)methyl]azetidine, trifluoroacetic acid

CAS No.:
2060005-61-8
Catalog Number:
AG01BVQG
Molecular Formula:
C12H13BrF3NO2
Molecular Weight:
340.1363
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Product Description
Catalog Number:
AG01BVQG
Chemical Name:
3-[(3-bromophenyl)methyl]azetidine, trifluoroacetic acid
CAS Number:
2060005-61-8
Molecular Formula:
C12H13BrF3NO2
Molecular Weight:
340.1363
MDL Number:
MFCD30497627
IUPAC Name:
3-[(3-bromophenyl)methyl]azetidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H12BrN.C2HF3O2/c11-10-3-1-2-8(5-10)4-9-6-12-7-9;3-2(4,5)1(6)7/h1-3,5,9,12H,4,6-7H2;(H,6,7)
InChI Key:
XHBLUJCCEMMJDQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Brc1cccc(c1)CC1CNC1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.008g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
340.14g/mol
Monoisotopic Mass:
339.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties