Home Aminos 3-[(pyrazin-2-yl)amino]benzoic acid

3-[(pyrazin-2-yl)amino]benzoic acid

CAS No.:
1098383-88-0
Catalog Number:
AG01AJXV
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG01AJXV
Chemical Name:
3-[(pyrazin-2-yl)amino]benzoic acid
CAS Number:
1098383-88-0
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD11649237
IUPAC Name:
3-(pyrazin-2-ylamino)benzoic acid
InChI:
InChI=1S/C11H9N3O2/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h1-7H,(H,13,14)(H,15,16)
InChI Key:
ZHUOYCJZFXGGGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1cnccn1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties