AG007E81

106047-17-0 | methyl 4-(pyridin-4-yl)benzoate

AG007E81

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CAS Number	106047-17-0
Catalog Number	AG007E81(AGN-PC-0LNIR6)
Chemical Name	methyl 4-(pyridin-4-yl)benzoate
IUPAC Name	methyl 4-pyridin-4-ylbenzoate
InChI	InChI=1S/C13H11NO2/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11/h2-9H,1H3
InChI Key	QQQMCQRQWVXBOY-UHFFFAOYSA-N
MDL Number	MFCD04114575
Molecular Formula	C13H11NO2
Molecular Weight	213.2319
SMILES	O=C(OC)C1=CC=C(C2=CC=NC=C2)C=C1
Synonyms	methyl 4-(pyridin-4-yl)benzoate, 106047-17-0, methyl 4-(4-pyridinyl)benzoate, 4-pyridin-4-yl-benzoic acid methyl ester, Methyl 4-pyridin-4-ylbenzoate, METHYL 4-PYRIDIN-4-YL-BENZATE, methyl 4-pyridin-4-yl-benzoate, 4-pyridin-4-ylbenzoic acid methyl ester, Benzoic acid,4-(4-pyridinyl)-, methyl ester, AC1NP7HL, ACMC-1C8T0, SCHEMBL741537, Methyl 4-(4-pyridyl)benzoate, CTK4A4302, KS-00000JYM, Methyl 4-(pyridin-4-yl)benoate, DTXSID90408910, QQQMCQRQWVXBOY-UHFFFAOYSA-N, Methyl 4-[Pyridin-4-yl]-Benzoate, 1335AA, MFCD04114575, ZINC15442535, AKOS004117390, AB18584, FS-2044, 4-(4-Pyridyl)benzoic acid methyl ester, AJ-67381, AK122106, DB-059429, RT-020526, BB 0220539, FT-0703623, Benzoic acid, 4-(4-pyridinyl)-, methyl ester, K-0522, A801365, J-001534, Methyl4-(pyridin-4-yl)benzoate, C13H11NO2, CID5152686,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.236g/mol
Monoisotopic Mass	213.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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