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158727-56-1 | Benzenamine, 2-methoxy-4-(trifluoromethyl)-
CAS No: 158727-56-1 Catalog No: AG001QSZ MDL No:MFCD04115973
Product Description
Catalog Number:
AG001QSZ
Chemical Name:
Benzenamine, 2-methoxy-4-(trifluoromethyl)-
CAS Number:
158727-56-1
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
MDL Number:
MFCD04115973
IUPAC Name:
2-methoxy-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H8F3NO/c1-13-7-4-5(8(9,10)11)2-3-6(7)12/h2-4H,12H2,1H3
InChI Key:
LWKZYZZCYQWRTJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.153g/mol
Monoisotopic Mass:
191.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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