AG004M5P

852180-74-6 | 3-Pyrimidin-5-yl-benzoic acid

AG004M5P

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	852180-74-6
Catalog Number	AG004M5P(AGN-PC-0L6V6C)
Chemical Name	3-Pyrimidin-5-yl-benzoic acid
IUPAC Name	3-pyrimidin-5-ylbenzoic acid
InChI	InChI=1S/C11H8N2O2/c14-11(15)9-3-1-2-8(4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
InChI Key	URQRFVRGUHUTMI-UHFFFAOYSA-N
MDL Number	MFCD05864810
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	C(=O)(O)c1cc(ccc1)c1cncnc1
Synonyms	3-Pyrimidin-5-yl-benzoic acid, 852180-74-6, 3-(pyrimidin-5-yl)benzoic acid, 3-pyrimidin-5-ylbenzoic Acid, 3-(5-Pyrimidinyl)benzoic acid, AC1N4ZYC, SCHEMBL941437, CTK5F4556, KS-00000NPU, DTXSID00400506, URQRFVRGUHUTMI-UHFFFAOYSA-N, Benzoic acid,3-(5-pyrimidinyl)-, ZINC2563824, Benzoic acid, 3-(5-pyrimidinyl)-, ANW-51374, MFCD05864810, SBB052795, 3-PYRIMIDIN-5-YL-BENZOICACID, AKOS004117330, MCULE-7129004323, RP04240, 3-pyrimidin-5-ylbenzoic acid, AldrichCPR, AJ-40919, AK-17708, BR-17708, TS-02827, DB-001734, ST2417843, TR-026659, 4CH-015650, BB 0222967, FT-0749351, ST50949586, W8798, S-3051, J-513097, I14-101481, C11H8N2O2, CID4187250, Benzoic acid, 3-(5-pyrimidinyl)- (9CI),

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	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number