Home Other Building Blocks 2-Bromo-3-methoxy-4-(trifluoromethoxy)aniline

2-Bromo-3-methoxy-4-(trifluoromethoxy)aniline

CAS No.:
1805568-90-4
Catalog Number:
AG01DX87
Molecular Formula:
C8H7BrF3NO2
Molecular Weight:
286.0459
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Product Description
Catalog Number:
AG01DX87
Chemical Name:
2-Bromo-3-methoxy-4-(trifluoromethoxy)aniline
CAS Number:
1805568-90-4
Molecular Formula:
C8H7BrF3NO2
Molecular Weight:
286.0459
MDL Number:
MFCD28741747
IUPAC Name:
2-bromo-3-methoxy-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C8H7BrF3NO2/c1-14-7-5(15-8(10,11)12)3-2-4(13)6(7)9/h2-3H,13H2,1H3
InChI Key:
QNUPLSMSSGITSJ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1Br)N)OC(F)(F)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.961g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.048g/mol
Monoisotopic Mass:
284.961g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties