AG008TEE

1083057-12-8 | tert-Butyl 3-(3-methylpyridin-2-yl)benzoate

AG008TEE

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CAS Number	1083057-12-8
Catalog Number	AG008TEE(AGN-PC-0WALHG)
Chemical Name	tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
IUPAC Name	tert-butyl 3-(3-methylpyridin-2-yl)benzoate
InChI	InChI=1S/C17H19NO2/c1-12-7-6-10-18-15(12)13-8-5-9-14(11-13)16(19)20-17(2,3)4/h5-11H,1-4H3
InChI Key	VNFCTMXMAKNWDJ-UHFFFAOYSA-N
MDL Number	MFCD26383927
Molecular Formula	C17H19NO2
Molecular Weight	269.3383
SMILES	O=C(OC(C)(C)C)C2(=CC(C1(=NC=CC=C1C))=CC=C2)
Synonyms	tert-Butyl 3-(3-methylpyridin-2-yl)benzoate, 1083057-12-8, SCHEMBL725346, DTXSID00726990, VNFCTMXMAKNWDJ-UHFFFAOYSA-N, BCP15391, CS-M2540, MFCD26383927, ZINC95093276, AKOS016845650, DS-2966, MP-0999, SB18037, AK133081, CJ-22664, AB0063208, AJ-132370, ST2419924, 4CH-012495, Z3872, tert-butyl-3-(3-methylpyridin-2-yl)benzoate, C17H19NO2, tert-Butyl3-(3-methylpyridin-2-yl)benzoate,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.142g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.344g/mol
Monoisotopic Mass	269.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number