Methyl 2-(4-Chloro-2-nitrophenyl)acetate - CAS 147124-37-6

Catalog:	BB010162
Product Name:	Methyl 2-(4-Chloro-2-nitrophenyl)acetate
CAS:	147124-37-6
Synonyms:	2-(4-chloro-2-nitrophenyl)acetic acid methyl ester; methyl 2-(4-chloro-2-nitrophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(4-chloro-2-nitrophenyl)acetate
Description:	Methyl 2-(4-Chloro-2-nitrophenyl)acetate (CAS# 147124-37-6 ) is a useful research chemical.
Molecular Weight:	229.62
Molecular Formula:	C9H8ClNO4
Canonical SMILES:	COC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C9H8ClNO4/c1-15-9(12)4-6-2-3-7(10)5-8(6)11(13)14/h2-3,5H,4H2,1H3
InChI Key:	SMDKYKOCWWWBJC-UHFFFAOYSA-N
Boiling Point:	303.984 °C at 760 mmHg
LogP:	2.48690

Publication Number	Title	Priority Date
AU-2014290498-A1	Aminomethyl-biaryl derivatives as complement Factor D inhibitors and uses thereof	20130718
CA-2917614-A1	Aminomethyl-biaryl derivatives complement factor d inhibitors and uses thereof	20130718
EP-3022182-A1	Aminomethyl-biaryl derivatives as complement factor d inhibitors and uses thereof	20130718
JP-2016529238-A	Aminomethyl-biaryl derivatives and their use as complement factor D inhibitors	20130718
KR-20160036568-A	Aminomethyl-biaryl derivatives as complement factor d inhibitors and uses thereof	20130718

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.0141854
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.0141854
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5