Home Halogens 3-(4-bromophenyl)-3-methylazetidine, trifluoroacetic acid

3-(4-bromophenyl)-3-methylazetidine, trifluoroacetic acid

CAS No.:
2044744-62-7
Catalog Number:
AG01BXP4
Molecular Formula:
C12H13BrF3NO2
Molecular Weight:
340.1363
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Product Description
Catalog Number:
AG01BXP4
Chemical Name:
3-(4-bromophenyl)-3-methylazetidine, trifluoroacetic acid
CAS Number:
2044744-62-7
Molecular Formula:
C12H13BrF3NO2
Molecular Weight:
340.1363
MDL Number:
MFCD30486544
IUPAC Name:
3-(4-bromophenyl)-3-methylazetidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H12BrN.C2HF3O2/c1-10(6-12-7-10)8-2-4-9(11)5-3-8;3-2(4,5)1(6)7/h2-5,12H,6-7H2,1H3;(H,6,7)
InChI Key:
NXTYPLWYOYXVDZ-UHFFFAOYSA-N
SMILES:
CC1(CNC1)c1ccc(cc1)Br.OC(=O)C(F)(F)F
Properties
Complexity:
241  
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:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties