AG008MHV

78543-07-4 | Ethyl 2-(3-fluoro-4-nitrophenyl)propionate

AG008MHV

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CAS Number	78543-07-4
Catalog Number	AG008MHV(AGN-PC-0UDLRJ)
Chemical Name	Ethyl 2-(3-fluoro-4-nitrophenyl)propionate
IUPAC Name	ethyl 2-(3-fluoro-4-nitrophenyl)propanoate
InChI	InChI=1S/C11H12FNO4/c1-3-17-11(14)7(2)8-4-5-10(13(15)16)9(12)6-8/h4-7H,3H2,1-2H3
InChI Key	BMOAQMNPJSPXIU-UHFFFAOYSA-N
MDL Number	MFCD11053617
Molecular Formula	C11H12FNO4
Molecular Weight	241.2157
SMILES	CC(C1=CC=C([N+]([O-])=O)C(F)=C1)C(OCC)=O
Synonyms	78543-07-4, ethyl 2-(3-fluoro-4-nitrophenyl)propanoate, ETHYL 2-(3-FLUORO-4-NITROPHENYL)PROPIONATE, 2-(3-Fluoro-4-nitro-phenyl)-propionic acid ethyl ester, SCHEMBL5676255, CTK5E5890, DTXSID10512200, BMOAQMNPJSPXIU-UHFFFAOYSA-N, MFCD11053617, AKOS027327676, AK326487, AS-37698, AB0076283, AX8127972, X-1803, Benzeneacetic acid,3-fluoro-a-methyl-4-nitro-, ethyl ester,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.075g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.218g/mol
Monoisotopic Mass	241.075g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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