AG003EO9

38947-57-8 | 2,6-Diphenylisonicotinic acid

AG003EO9

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CAS Number	38947-57-8
Catalog Number	AG003EO9(AGN-PC-0KVAMW)
Chemical Name	2,6-Diphenylisonicotinic acid
IUPAC Name	2,6-diphenylpyridine-4-carboxylic acid
InChI	InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChI Key	PWKUURSWFJBXGO-UHFFFAOYSA-N
MDL Number	MFCD00418438
Molecular Formula	C18H13NO2
Molecular Weight	275.3013
SMILES	OC(=O)C1=CC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1
Synonyms	2,6-Diphenylisonicotinic acid, 38947-57-8, 2,6-diphenylpyridine-4-carboxylic acid, MLS001360380, PWKUURSWFJBXGO-UHFFFAOYSA-N, 2,6-Diphenylisonicotinic acid, 97%, SMR001223971, 2 6-DIPHENYLISONICOTINIC ACID 97, AC1MRCDZ, AC1Q72VT, SCHEMBL4259978, CHEMBL1354456, BDBM91229, cid_3490694, CTK1C1244, A4075/0173629, DTXSID80392975, HMS3056N16, ZINC404078, 4939AH, MFCD00418438, STK664099, AKOS003388792, MCULE-4776172215, 2,6-diphenyl-4-pyridinecarboxylic acid, ACM38947578, 4-Pyridinecarboxylicacid, 2,6-diphenyl-, AS-47962, ST078023, 4-Pyridinecarboxylic acid, 2,6-diphenyl-, K-8448, I02-5912, C18H13NO2, 26-DIPHENYLISONICOTINICACID97, CID3490694,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.095g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.307g/mol
Monoisotopic Mass	275.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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