Methyl 5-Chloro-2-(methylamino)benzoate - CAS 55150-07-7

Catalog:	BB028923
Product Name:	Methyl 5-Chloro-2-(methylamino)benzoate
CAS:	55150-07-7
Synonyms:	5-chloro-2-(methylamino)benzoic acid methyl ester; methyl 5-chloro-2-(methylamino)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-chloro-2-(methylamino)benzoate
Description:	Methyl 5-Chloro-2-(methylamino)benzoate (CAS# 55150-07-7 ) is a useful research chemical.
Molecular Weight:	199.63
Molecular Formula:	C9H10ClNO2
Canonical SMILES:	CNC1=C(C=C(C=C1)Cl)C(=O)OC
InChI:	InChI=1S/C9H10ClNO2/c1-11-8-4-3-6(10)5-7(8)9(12)13-2/h3-5,11H,1-2H3
InChI Key:	ZXWPYEIFGVQZDK-UHFFFAOYSA-N
LogP:	2.24130

Publication Number	Title	Priority Date
US-2003153570-A1	Aryl triazines as LPAAT-SS inhibitors and uses thereof	20011031
US-2008064700-A1	Aryl triazines as LPAAT-beta inhibitors and uses thereof	20011031
US-7291616-B2	Aryl triazines as LPAAT-Î² inhibitors and uses thereof	20011031
US-7618968-B2	Aryl triazines as LPAAT-Î² inhibitors and uses thereof	20011031
WO-03037346-A1	6-phenyl-n-phenyl-(1,3,5) -triazine-2,4-diamine derivatives and related compounds with lysophphosphatidic acid acyltransferase beta (lpaat-beta) inhibitory activity for use in the treatment of cancer	20011031

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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:	199.0400063
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4