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1992-09-2 | Benzenemethanol, 4-amino-3-methyl-α,α-bis(trifluoromethyl)-
CAS No: 1992-09-2 Catalog No: AG002BZ0 MDL No:MFCD00788428
Product Description
Catalog Number:
AG002BZ0
Chemical Name:
Benzenemethanol, 4-amino-3-methyl-α,α-bis(trifluoromethyl)-
CAS Number:
1992-09-2
Molecular Formula:
C10H9F6NO
Molecular Weight:
273.1750
MDL Number:
MFCD00788428
IUPAC Name:
2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
InChI:
InChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChI Key:
BBKBZCHWYBHANQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.178g/mol
Monoisotopic Mass:
273.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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