AG003Q52

31912-02-4 | Ethyl 2-(2-nitrophenyl)acetate

AG003Q52

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CAS Number	31912-02-4
Catalog Number	AG003Q52(AGN-PC-046LP1)
Chemical Name	Ethyl 2-(2-nitrophenyl)acetate
IUPAC Name	ethyl 2-(2-nitrophenyl)acetate
InChI	InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h3-6H,2,7H2,1H3
InChI Key	CJHXMQCYEILGFT-UHFFFAOYSA-N
MDL Number	MFCD00092226
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(OCC)CC1=CC=CC=C1[N+]([O-])=O
Synonyms	ethyl 2-(2-nitrophenyl)acetate, 31912-02-4, Ethyl 2-nitrophenylacetate, 2-Nitrophenyl acetic acid ethyl ester, Ethyl (2-nitrophenyl)acetate, Benzeneacetic acid, 2-nitro-, ethyl ester, CJHXMQCYEILGFT-UHFFFAOYSA-N, 2-Nitrophenylacetic acid ethyl ester, (2-Nitro-phenyl)-acetic acid ethyl ester, AC1LC7TX, Ethyl2-Nitrophenylacetate, Maybridge1_006245, Oprea1_434832, ethyl (2-nitrophenyl)-acetate, SCHEMBL3796044, Ethyl benzeneacetate, 2-nitro-, Ethyl (2-nitrophenyl)acetate #, SCHEMBL14592343, CTK4G7913, HMS559D19, ZINC81223, DTXSID60344311, KS-00000BE6, MFCD00092226, SBB094174, AKOS015888293, AC-4372, MCULE-7254901975, PS-4729, TRA0043496, AJ-10549, AK-82420, AM803685, AN-12052, Benzeneacetic acid,2-nitro-, ethyl ester, CJ-00660, SC-26898, SY005240, AB0056264, DB-068549, TC-308211, CS-0042739, FT-0734176, Z-3914, MFCD00092226 (97+%), AE-562/43460576, I01-10469, CID595882, 2-NITROPHENYLACETICACIDETHYLESTER, 69555-14-2,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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