Ethyl 2-Nitrobenzoate - CAS 610-34-4

Catalog:	BB030910
Product Name:	Ethyl 2-Nitrobenzoate
CAS:	610-34-4
Synonyms:	2-nitrobenzoic acid ethyl ester; ethyl 2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-nitrobenzoate
Description:	Ethyl 2-Nitrobenzoate (CAS# 610-34-4) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	CCOC(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
InChI Key:	CPNMAYYYYSWTIV-UHFFFAOYSA-N
Boiling Point:	172 °C (18 torr)
MDL:	MFCD00014696
LogP:	2.29470

Publication Number	Title	Priority Date
CN-113461952-A	Active oxygen response type self-degradation polymer and preparation method and application thereof	20210630
CN-111718271-A	Method for synthesizing p-dimethylaminobenzoate compound by palladium catalysis	20200703
CN-111574455-A	Preparation method of imidocarb dipropionate and intermediate thereof	20200515
CN-110075773-A	The method of its synthesis benzocainum of micro-reactor apparatus and application	20190531
CN-109232648-A	A kind of polypeptide condensing agent containing phosphamide and preparation method thereof for polypeptide drugs synthesis	20181008

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2