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898598-62-4 | Benzenemethanamine,N-methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS No: 898598-62-4 Catalog No: AG003WRA MDL No:MFCD09817515
Product Description
Catalog Number:
AG003WRA
Chemical Name:
Benzenemethanamine,N-methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
898598-62-4
Molecular Formula:
C13H14F3N3
Molecular Weight:
269.2656
MDL Number:
MFCD09817515
IUPAC Name:
N-methyl-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanamine
InChI:
InChI=1S/C13H14F3N3/c1-17-8-9-5-3-4-6-10(9)11-7-12(13(14,15)16)18-19(11)2/h3-7,17H,8H2,1-2H3
InChI Key:
OTPQTKMWNNGSEX-UHFFFAOYSA-N
SMILES:
CNCc1ccccc1c1cc(nn1C)C(F)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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