Ethyl 4-(4-nitrophenyl)benzoate - CAS 6242-99-5

Name: Ethyl 4-(4-nitrophenyl)benzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB065603
Product Name:	Ethyl 4-(4-nitrophenyl)benzoate
CAS:	6242-99-5
Synonyms:	Ethyl 4-(4-nitrophenyl)benzoate; Ethyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate; 4'-Nitro-biphenyl-4-carboxylic acid ethyl ester; Ethyl4'-nitro-[1,1'-biphenyl]-4-carboxylate; Ethyl 4-(4-nitrophenyl) benzoate

Technical Data

Computed Properties

IUPAC Name:	ethyl 4-(4-nitrophenyl)benzoate
Description:	Ethyl 4-(4-nitrophenyl)benzoate
Molecular Weight:	271.27
Molecular Formula:	C15H13NO4
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C15H13NO4/c1-2-20-15(17)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(18)19/h3-10H,2H2,1H3
InChI Key:	OVKHMXKMNWEQHF-UHFFFAOYSA-N

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Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.0844579
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.0844579
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4