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116369-25-6 | Benzenamine, 4-bromo-3-(trifluoromethoxy)-
CAS No: 116369-25-6 Catalog No: AG000CBZ MDL No:MFCD11506046
Product Description
Catalog Number:
AG000CBZ
Chemical Name:
Benzenamine, 4-bromo-3-(trifluoromethoxy)-
CAS Number:
116369-25-6
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
MDL Number:
MFCD11506046
IUPAC Name:
4-bromo-3-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5BrF3NO/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key:
LFTJNGSZCSGBFU-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(N)ccc1Br)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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