AG001DRB

14617-85-7 | Tetradecanoic acid, 4-nitrophenyl ester

AG001DRB

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CAS Number	14617-85-7
Catalog Number	AG001DRB(AGN-PC-0JLV5T)
Chemical Name	Tetradecanoic acid, 4-nitrophenyl ester
EC Number	238-653-0
IUPAC Name	(4-nitrophenyl) tetradecanoate
InChI	InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3
InChI Key	ZBBNFJIVAHGZKA-UHFFFAOYSA-N
MDL Number	MFCD00047731
Molecular Formula	C20H31NO4
Molecular Weight	349.4644
NSC Number	122044
SMILES	CCCCCCCCCCCCCC(OC1=CC=C([N+]([O-])=O)C=C1)=O
Synonyms	4-Nitrophenyl myristate, 14617-85-7, 4-Nitrophenyl tetradecanoate, p-Nitrophenyl myristate, Tetradecanoic acid, 4-nitrophenyl ester, Tetradecanoic acid 4-nitrophenyl ester, N-4560, EINECS 238-653-0, NSC122044, AC1L37PM, SCHEMBL231763, (4-nitrophenyl) tetradecanoate, AC1Q610S, DTXSID2074530, CTK4C4846, BIN0440, ZX-AFC003216, 7238AA, MFCD00047731, ZINC76945639, AKOS015890830, Tetradecanoic acid,4-nitrophenyl ester, MCULE-5910890334, NSC-122044, AS-47807, AX8099532, FT-0619264, ST50331307, 4-Nitrophenyl myristate, >=95.0% (HPLC), C-50305, I01-7679, C20H31NO4, CID84555, AR-1G4063, C20-H31-N-O4, 1484-05-5,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	349.225g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	349.471g/mol
Monoisotopic Mass	349.225g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315
Packing Group
Precautionary statements	P280
Signal Words	warning
UN Code

Certificate of Analysis

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