Ethyl 3-Amino-5-bromobenzoate - CAS 690260-95-8

Catalog:	BB033673
Product Name:	Ethyl 3-Amino-5-bromobenzoate
CAS:	690260-95-8
Synonyms:	3-amino-5-bromobenzoic acid ethyl ester; ethyl 3-amino-5-bromobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-amino-5-bromobenzoate
Description:	Ethyl 3-Amino-5-bromobenzoate (CAS# 690260-95-8) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CCOC(=O)C1=CC(=CC(=C1)Br)N
InChI:	InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,11H2,1H3
InChI Key:	AGSSVQHQCFMXHB-UHFFFAOYSA-N
LogP:	2.78920

Publication Number	Title	Priority Date
AU-2014290498-A1	Aminomethyl-biaryl derivatives as complement Factor D inhibitors and uses thereof	20130718
CN-105555766-A	Aminomethyl-biaryl derivatives as 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:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2