2-Chloro-5-fluoro-4-methoxyaniline - CAS 677741-98-9

Catalog:	BB033393
Product Name:	2-Chloro-5-fluoro-4-methoxyaniline
CAS:	677741-98-9
Synonyms:	2-chloro-5-fluoro-4-methoxyaniline; 2-chloro-5-fluoro-4-methoxyaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-5-fluoro-4-methoxyaniline
Description:	2-Chloro-5-fluoro-4-methoxyaniline (CAS# 677741-98-9 ) is a useful research chemical.
Molecular Weight:	175.59
Molecular Formula:	C7H7ClFNO
Canonical SMILES:	COC1=C(C=C(C(=C1)Cl)N)F
InChI:	InChI=1S/C7H7ClFNO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,10H2,1H3
InChI Key:	HTCATZCQXYRHJF-UHFFFAOYSA-N
MDL:	MFCD20694706
LogP:	2.65110

Publication Number	Title	Priority Date
WO-2020126952-A1	Imidazopyrazine derivatives as antibacterial agents	20181217
WO-2020126953-A1	Novel imidazopyrazine derivatives as antibacterials	20181217
WO-2020126954-A1	Novel imidazopyrazine derivatives	20181217
WO-2020126956-A1	Imidazopyrazine derivatives as antibacterial agents	20181217
WO-2020127075-A1	Imidazopyrazine derivatives as antibacterials	20181217

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0200197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.0200197
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9