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119738-50-0 | 2-Pyrazinamine, 5-(4-methoxyphenyl)-
CAS No: 119738-50-0 Catalog No: AG000PL4 MDL No:
Product Description
Catalog Number:
AG000PL4
Chemical Name:
2-Pyrazinamine, 5-(4-methoxyphenyl)-
CAS Number:
119738-50-0
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
5-(4-methoxyphenyl)pyrazin-2-amine
InChI:
InChI=1S/C11H11N3O/c1-15-9-4-2-8(3-5-9)10-6-14-11(12)7-13-10/h2-7H,1H3,(H2,12,14)
InChI Key:
FSYUUWJQSLZZLC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(cn1)N
Properties
Complexity:
192
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:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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