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174824-16-9 | Benzenamine, 2-bromo-3,5-bis(trifluoromethyl)-
CAS No: 174824-16-9 Catalog No: AG001ZZM MDL No:MFCD00134419
Product Description
Catalog Number:
AG001ZZM
Chemical Name:
Benzenamine, 2-bromo-3,5-bis(trifluoromethyl)-
CAS Number:
174824-16-9
Molecular Formula:
C8H4BrF6N
Molecular Weight:
308.0185
MDL Number:
MFCD00134419
IUPAC Name:
2-bromo-3,5-bis(trifluoromethyl)aniline
InChI:
InChI=1S/C8H4BrF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
InChI Key:
JFWWJFXUVIYKTC-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1Br)C(F)(F)F)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.943g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.021g/mol
Monoisotopic Mass:
306.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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