AG00EAG7

579476-26-9 | 3-(Pyrimidin-2-yl)benzoic Acid

AG00EAG7

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CAS Number	579476-26-9
Catalog Number	AG00EAG7(AGN-PC-03NWKO)
Chemical Name	3-(Pyrimidin-2-yl)benzoic Acid
IUPAC Name	3-pyrimidin-2-ylbenzoic acid
InChI	InChI=1S/C11H8N2O2/c14-11(15)9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H,(H,14,15)
InChI Key	KLTNGIZIUGYITR-UHFFFAOYSA-N
MDL Number	MFCD05864812
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	N1=C(N=CC=C1)C2=CC=CC(=C2)C(=O)O
Synonyms	3-PYRIMIDIN-2-YL-BENZOIC ACID, 579476-26-9, 3-(Pyrimidin-2-yl)benzoic Acid, 3-pyrimidin-2-ylbenzoic acid, SCHEMBL940696, 2-(3-Carboxyphenyl)pyrimidine, 3-(2-Pyrimidinyl)benzoic acid, CTK5A7663, KS-00003SOF, DTXSID40624683, KLTNGIZIUGYITR-UHFFFAOYSA-N, Benzoic acid,3-(2-pyrimidinyl)-, ZINC2563826, Benzoic acid, 3-(2-pyrimidinyl)-, ANW-74995, MFCD05864812, SBB052777, AKOS004116497, 3-(PYRIMIDIN-2-YL)BENZOICACID, RP25773, RTR-020191, NCGC00374141-01, 3-pyrimidin-2yl-benzoic acid, AldrichCPR, AJ-40921, AK-17710, BP-10071, BR-17710, TS-01497, AB0025633, DB-001869, ST2417842, TR-020191, 4CH-015377, FT-0691938, W7123, S-3043, J-513096, I14-60244, C11H8N2O2,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.059g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.197g/mol
Monoisotopic Mass	200.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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