Home Aminos 3-[(4-methylpyrimidin-2-yl)amino]benzoic acid

3-[(4-methylpyrimidin-2-yl)amino]benzoic acid

CAS No.:
1285476-29-0
Catalog Number:
AG01BV28
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
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Product Description
Catalog Number:
AG01BV28
Chemical Name:
3-[(4-methylpyrimidin-2-yl)amino]benzoic acid
CAS Number:
1285476-29-0
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD18045647
IUPAC Name:
3-[(4-methylpyrimidin-2-yl)amino]benzoic acid
InChI:
InChI=1S/C12H11N3O2/c1-8-5-6-13-12(14-8)15-10-4-2-3-9(7-10)11(16)17/h2-7H,1H3,(H,16,17)(H,13,14,15)
InChI Key:
MOYTUSIFWRQZSJ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)Nc1cccc(c1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties