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1022128-78-4 | 2-Pyrazinamine, N-(4-methoxyphenyl)-
CAS No: 1022128-78-4 Catalog No: AG0006XX MDL No:MFCD09998892
Product Description
Catalog Number:
AG0006XX
Chemical Name:
2-Pyrazinamine, N-(4-methoxyphenyl)-
CAS Number:
1022128-78-4
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD09998892
IUPAC Name:
N-(4-methoxyphenyl)pyrazin-2-amine
InChI:
InChI=1S/C11H11N3O/c1-15-10-4-2-9(3-5-10)14-11-8-12-6-7-13-11/h2-8H,1H3,(H,13,14)
InChI Key:
AZDBABVGXUPDTO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1nccnc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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