AG00BD8G

222987-21-5 | 4-(2-Aminopyrimidin-5-yl)benzoic acid

AG00BD8G

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CAS Number	222987-21-5
Catalog Number	AG00BD8G(AGN-PC-00535G)
Chemical Name	4-(2-Aminopyrimidin-5-yl)benzoic acid
IUPAC Name	4-(2-aminopyrimidin-5-yl)benzoic acid
InChI	InChI=1S/C11H9N3O2/c12-11-13-5-9(6-14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
InChI Key	AHHQGKDKFINLBL-UHFFFAOYSA-N
MDL Number	MFCD05864814
Molecular Formula	C11H9N3O2
Molecular Weight	215.2081
SMILES	NC1=NC=C(C=N1)C2=CC=C(C(=O)O)C=C2
Synonyms	4-(2-aminopyrimidin-5-yl)benzoic Acid, 222987-21-5, SCHEMBL1867850, CTK4E9144, KS-00003SJO, DTXSID50459807, AHHQGKDKFINLBL-UHFFFAOYSA-N, ZINC2563828, ANW-51367, FC0626, MFCD05864814, SBB052800, 4-(2-amino-5-pyrimidyl)benzoic acid, AKOS015854815, CA-1857, QC-5566, 4-(2-Amino-5-pyrimidinyl)benzoic acid, AJ-40923, AK-17713, AN-29627, BR-17713, TS-00455, Benzoic acid,4-(2-amino-5-pyrimidinyl)-, AB0023524, DB-001838, ST2417945, TR-010510, 4CH-015666, FT-0692297, W4598, S-3046, 4-(2-aminopyrimidin-5-yl)benzoic acid, AldrichCPR, I14-9316, 4- BENZOICACID, C11H9N3O2, CID11241367,

Complexity	244
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	2
Topological Polar Surface Area	89.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number