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88312-60-1 | 2-Pyridinamine, 5-nitro-3-[3-(trifluoromethyl)phenyl]-
CAS No: 88312-60-1 Catalog No: AG00484Z MDL No:
Product Description
Catalog Number:
AG00484Z
Chemical Name:
2-Pyridinamine, 5-nitro-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
88312-60-1
Molecular Formula:
C12H8F3N3O2
Molecular Weight:
283.2060
IUPAC Name:
5-nitro-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
InChI:
InChI=1S/C12H8F3N3O2/c13-12(14,15)8-3-1-2-7(4-8)10-5-9(18(19)20)6-17-11(10)16/h1-6H,(H2,16,17)
InChI Key:
JOJRMJXIWCYXJX-UHFFFAOYSA-N
SMILES:
Nc1ncc(cc1c1cccc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.21g/mol
Monoisotopic Mass:
283.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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