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70458-49-0 | 3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-
CAS No: 70458-49-0 Catalog No: AG005IW4 MDL No:
Product Description
Catalog Number:
AG005IW4
Chemical Name:
3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-
CAS Number:
70458-49-0
Molecular Formula:
C13H8ClF3N2O
Molecular Weight:
300.6636
IUPAC Name:
2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl chloride
InChI:
InChI=1S/C13H8ClF3N2O/c14-11(20)10-5-2-6-18-12(10)19-9-4-1-3-8(7-9)13(15,16)17/h1-7H,(H,18,19)
InChI Key:
HYNJKBCUZJEDNV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.665g/mol
Monoisotopic Mass:
300.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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