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821784-01-4 | Phenol, 4-[5-[[(3-chlorophenyl)methyl]amino]pyrazinyl]-
CAS No: 821784-01-4 Catalog No: AG005I9Y MDL No:
Product Description
Catalog Number:
AG005I9Y
Chemical Name:
Phenol, 4-[5-[[(3-chlorophenyl)methyl]amino]pyrazinyl]-
CAS Number:
821784-01-4
Molecular Formula:
C17H14ClN3O
Molecular Weight:
311.7656
IUPAC Name:
4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenol
InChI:
InChI=1S/C17H14ClN3O/c18-14-3-1-2-12(8-14)9-20-17-11-19-16(10-21-17)13-4-6-15(22)7-5-13/h1-8,10-11,22H,9H2,(H,20,21)
InChI Key:
SMNQTAFIMSSOTC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cnc(cn1)NCc1cccc(c1)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.769g/mol
Monoisotopic Mass:
311.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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