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771580-70-2 | (4-(Trifluoromethyl);pyridin-3-yl);methanamine
CAS No: 771580-70-2 Catalog No: AG0055HQ MDL No:MFCD06201889
Product Description
Catalog Number:
AG0055HQ
Chemical Name:
(4-(Trifluoromethyl);pyridin-3-yl);methanamine
CAS Number:
771580-70-2
Molecular Formula:
C7H7F3N2
Molecular Weight:
176.1391
MDL Number:
MFCD06201889
IUPAC Name:
[4-(trifluoromethyl)pyridin-3-yl]methanamine
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-2,4H,3,11H2
InChI Key:
BNOMILFMXFLECU-UHFFFAOYSA-N
SMILES:
NCc1cnccc1C(F)(F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.142g/mol
Monoisotopic Mass:
176.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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